3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan;3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene;3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene 2,2-dioxide;1,3,3a,4,5,6,7,7a-octahydro-2-benzothiophene 2,2-dioxide;1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2-azabicyclo[2.2.1]heptane;8-azabicyclo[3.2.1]octane;2-azaspiro[3.3]heptane;2,2-dimethylpropane;2λ6-thiaspiro[3.3]heptane 2,2-dioxide;2λ6-thiaspiro[3.5]nonane 2,2-dioxide;2λ6-thiaspiro[3.4]octane 2,2-dioxide;3λ6-thiaspiro[5.5]undecane 3,3-dioxide;tricosakis(2-methylpropane);morpholine;2-oxabicyclo[2.2.1]heptane;8-oxabicyclo[3.2.1]octane;2-oxaspiro[3.3]heptane;oxolane;1H-pyridin-2-one;thiane;thiane 1,1-dioxide;2-thiaspiro[3.3]heptane;thietane 1,1-dioxide;thiolane;thiolane 1,1-dioxide

C242H500N6O25S13 — CID 161277105

IUPAC3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan;3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene;3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene 2,2-dioxide;1,3,3a,4,5,6,7,7a-octahydro-2-benzothiophene 2,2-dioxide;1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2-azabicyclo[2.2.1]heptane;8-azabicyclo[3.2.1]octane;2-azaspiro[3.3]heptane;2,2-dimethylpropane;2λ6-thiaspiro[3.3]heptane 2,2-dioxide;2λ6-thiaspiro[3.5]nonane 2,2-dioxide;2λ6-thiaspiro[3.4]octane 2,2-dioxide;3λ6-thiaspiro[5.5]undecane 3,3-dioxide;tricosakis(2-methylpropane);morpholine;2-oxabicyclo[2.2.1]heptane;8-oxabicyclo[3.2.1]octane;2-oxaspiro[3.3]heptane;oxolane;1H-pyridin-2-one;thiane;thiane 1,1-dioxide;2-thiaspiro[3.3]heptane;thietane 1,1-dioxide;thiolane;thiolane 1,1-dioxide
SMILESC1CC2(C1)CNC2.C1CC2(C1)COC2.C1CC2(C1)CSC2.C1CC2CC1CN2.C1CC2CC1CO2.C1CC2CCC(C1)N2.C1CC2CCC(C1)O2.C1CC2CNCC2C1.C1CC2COCC2C1.C1CC2CSCC2C1.C1CCOC1.C1CCSC1.C1CCSCC1.C1COCCN1.CC(C)(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.O=S1(=O)CC2(CCC2)C1.O=S1(=O)CC2(CCCC2)C1.O=S1(=O)CC2(CCCCC2)C1.O=S1(=O)CC2CCCC2C1.O=S1(=O)CC2CCCCC2C1.O=S1(=O)CCC1.O=S1(=O)CCC2(CCCCC2)CC1.O=S1(=O)CCCC1.O=S1(=O)CCCCC1.O=c1cccc[nH]1
InChIInChI=1S/C10H18O2S.2C8H14O2S.2C7H13N.2C7H12O2S.2C7H12O.C7H12S.2C6H11N.C6H10O2S.2C6H10O.C6H10S.C5H5NO.C5H10O2S.C5H10S.C5H12.C4H9NO.C4H8O2S.C4H8O.C4H8S.23C4H10.C3H6O2S/c11-13(12)8-6-10(7-9-13)4-2-1-3-5-10;9-11(10)5-7-3-1-2-4-8(7)6-11;9-11(10)6-8(7-11)4-2-1-3-5-8;1-2-6-4-8-5-7(6)3-1;1-2-6-4-5-7(3-1)8-6;8-10(9)4-6-2-1-3-7(6)5-10;8-10(9)5-7(6-10)3-1-2-4-7;1-2-6-4-8-5-7(6)3-1;1-2-6-4-5-7(3-1)8-6;1-2-6-4-8-5-7(6)3-1;1-2-6-3-5(1)4-7-6;1-2-6(3-1)4-7-5-6;7-9(8)4-6(5-9)2-1-3-6;1-2-6-3-5(1)4-7-6;2*1-2-6(3-1)4-7-5-6;7-5-3-1-2-4-6-5;6-8(7)4-2-1-3-5-8;1-2-4-6-5-3-1;1-5(2,3)4;1-3-6-4-2-5-1;5-7(6)3-1-2-4-7;2*1-2-4-5-3-1;23*1-4(2)3;4-6(5)2-1-3-6/h1-9H2;7-8H,1-6H2;1-7H2;2*6-8H,1-5H2;6-7H,1-5H2;1-6H2;3*6-7H,1-5H2;5-7H,1-4H2;7H,1-5H2;1-5H2;5-6H,1-4H2;2*1-5H2;1-4H,(H,6,7);1-5H2;1-5H2;1-4H3;5H,1-4H2;1-4H2;2*1-4H2;23*4H,1-3H3;1-3H2
InChIKeyVEOSNZWZSAMEGI-UHFFFAOYSA-N
MW4311.55 g/mol
LogP65.58
Rot. Bonds

About 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan;3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene;3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene 2,2-dioxide;1,3,3a,4,5,6,7,7a-octahydro-2-benzothiophene 2,2-dioxide;1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2-azabicyclo[2.2.1]heptane;8-azabicyclo[3.2.1]octane;2-azaspiro[3.3]heptane;2,2-dimethylpropane;2λ6-thiaspiro[3.3]heptane 2,2-dioxide;2λ6-thiaspiro[3.5]nonane 2,2-dioxide;2λ6-thiaspiro[3.4]octane 2,2-dioxide;3λ6-thiaspiro[5.5]undecane 3,3-dioxide;tricosakis(2-methylpropane);morpholine;2-oxabicyclo[2.2.1]heptane;8-oxabicyclo[3.2.1]octane;2-oxaspiro[3.3]heptane;oxolane;1H-pyridin-2-one;thiane;thiane 1,1-dioxide;2-thiaspiro[3.3]heptane;thietane 1,1-dioxide;thiolane;thiolane 1,1-dioxide

3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan;3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene;3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene 2,2-dioxide;1,3,3a,4,5,6,7,7a-octahydro-2-benzothiophene 2,2-dioxide;1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2-azabicyclo[2.2.1]heptane;8-azabicyclo[3.2.1]octane;2-azaspiro[3.3]heptane;2,2-dimethylpropane;2λ6-thiaspiro[3.3]heptane 2,2-dioxide;2λ6-thiaspiro[3.5]nonane 2,2-dioxide;2λ6-thiaspiro[3.4]octane 2,2-dioxide;3λ6-thiaspiro[5.5]undecane 3,3-dioxide;tricosakis(2-methylpropane);morpholine;2-oxabicyclo[2.2.1]heptane;8-oxabicyclo[3.2.1]octane;2-oxaspiro[3.3]heptane;oxolane;1H-pyridin-2-one;thiane;thiane 1,1-dioxide;2-thiaspiro[3.3]heptane;thietane 1,1-dioxide;thiolane;thiolane 1,1-dioxide (PubChem CID 161277105) has the molecular formula C242H500N6O25S13 and a molecular weight of 4311.55 g/mol. Its IUPAC name is 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan;3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene;3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene 2,2-dioxide;1,3,3a,4,5,6,7,7a-octahydro-2-benzothiophene 2,2-dioxide;1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2-azabicyclo[2.2.1]heptane;8-azabicyclo[3.2.1]octane;2-azaspiro[3.3]heptane;2,2-dimethylpropane;2λ6-thiaspiro[3.3]heptane 2,2-dioxide;2λ6-thiaspiro[3.5]nonane 2,2-dioxide;2λ6-thiaspiro[3.4]octane 2,2-dioxide;3λ6-thiaspiro[5.5]undecane 3,3-dioxide;tricosakis(2-methylpropane);morpholine;2-oxabicyclo[2.2.1]heptane;8-oxabicyclo[3.2.1]octane;2-oxaspiro[3.3]heptane;oxolane;1H-pyridin-2-one;thiane;thiane 1,1-dioxide;2-thiaspiro[3.3]heptane;thietane 1,1-dioxide;thiolane;thiolane 1,1-dioxide.

Molecular Properties

Compound Name3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan;3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene;3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene 2,2-dioxide;1,3,3a,4,5,6,7,7a-octahydro-2-benzothiophene 2,2-dioxide;1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2-azabicyclo[2.2.1]heptane;8-azabicyclo[3.2.1]octane;2-azaspiro[3.3]heptane;2,2-dimethylpropane;2λ6-thiaspiro[3.3]heptane 2,2-dioxide;2λ6-thiaspiro[3.5]nonane 2,2-dioxide;2λ6-thiaspiro[3.4]octane 2,2-dioxide;3λ6-thiaspiro[5.5]undecane 3,3-dioxide;tricosakis(2-methylpropane);morpholine;2-oxabicyclo[2.2.1]heptane;8-oxabicyclo[3.2.1]octane;2-oxaspiro[3.3]heptane;oxolane;1H-pyridin-2-one;thiane;thiane 1,1-dioxide;2-thiaspiro[3.3]heptane;thietane 1,1-dioxide;thiolane;thiolane 1,1-dioxide
PubChem CID161277105
Molecular FormulaC242H500N6O25S13
Molecular Weight4311.55 g/mol
Exact Mass4307.44
IUPAC Name3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan;3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene;3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene 2,2-dioxide;1,3,3a,4,5,6,7,7a-octahydro-2-benzothiophene 2,2-dioxide;1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2-azabicyclo[2.2.1]heptane;8-azabicyclo[3.2.1]octane;2-azaspiro[3.3]heptane;2,2-dimethylpropane;2λ6-thiaspiro[3.3]heptane 2,2-dioxide;2λ6-thiaspiro[3.5]nonane 2,2-dioxide;2λ6-thiaspiro[3.4]octane 2,2-dioxide;3λ6-thiaspiro[5.5]undecane 3,3-dioxide;tricosakis(2-methylpropane);morpholine;2-oxabicyclo[2.2.1]heptane;8-oxabicyclo[3.2.1]octane;2-oxaspiro[3.3]heptane;oxolane;1H-pyridin-2-one;thiane;thiane 1,1-dioxide;2-thiaspiro[3.3]heptane;thietane 1,1-dioxide;thiolane;thiolane 1,1-dioxide
SMILESC1CC2(C1)CNC2.C1CC2(C1)COC2.C1CC2(C1)CSC2.C1CC2CC1CN2.C1CC2CC1CO2.C1CC2CCC(C1)N2.C1CC2CCC(C1)O2.C1CC2CNCC2C1.C1CC2COCC2C1.C1CC2CSCC2C1.C1CCOC1.C1CCSC1.C1CCSCC1.C1COCCN1.CC(C)(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.O=S1(=O)CC2(CCC2)C1.O=S1(=O)CC2(CCCC2)C1.O=S1(=O)CC2(CCCCC2)C1.O=S1(=O)CC2CCCC2C1.O=S1(=O)CC2CCCCC2C1.O=S1(=O)CCC1.O=S1(=O)CCC2(CCCCC2)CC1.O=S1(=O)CCCC1.O=S1(=O)CCCCC1.O=c1cccc[nH]1
InChIInChI=1S/C10H18O2S.2C8H14O2S.2C7H13N.2C7H12O2S.2C7H12O.C7H12S.2C6H11N.C6H10O2S.2C6H10O.C6H10S.C5H5NO.C5H10O2S.C5H10S.C5H12.C4H9NO.C4H8O2S.C4H8O.C4H8S.23C4H10.C3H6O2S/c11-13(12)8-6-10(7-9-13)4-2-1-3-5-10;9-11(10)5-7-3-1-2-4-8(7)6-11;9-11(10)6-8(7-11)4-2-1-3-5-8;1-2-6-4-8-5-7(6)3-1;1-2-6-4-5-7(3-1)8-6;8-10(9)4-6-2-1-3-7(6)5-10;8-10(9)5-7(6-10)3-1-2-4-7;1-2-6-4-8-5-7(6)3-1;1-2-6-4-5-7(3-1)8-6;1-2-6-4-8-5-7(6)3-1;1-2-6-3-5(1)4-7-6;1-2-6(3-1)4-7-5-6;7-9(8)4-6(5-9)2-1-3-6;1-2-6-3-5(1)4-7-6;2*1-2-6(3-1)4-7-5-6;7-5-3-1-2-4-6-5;6-8(7)4-2-1-3-5-8;1-2-4-6-5-3-1;1-5(2,3)4;1-3-6-4-2-5-1;5-7(6)3-1-2-4-7;2*1-2-4-5-3-1;23*1-4(2)3;4-6(5)2-1-3-6/h1-9H2;7-8H,1-6H2;1-7H2;2*6-8H,1-5H2;6-7H,1-5H2;1-6H2;3*6-7H,1-5H2;5-7H,1-4H2;7H,1-5H2;1-5H2;5-6H,1-4H2;2*1-5H2;1-4H,(H,6,7);1-5H2;1-5H2;1-4H3;5H,1-4H2;1-4H2;2*1-4H2;23*4H,1-3H3;1-3H2
InChIKeyVEOSNZWZSAMEGI-UHFFFAOYSA-N
XLogP65.58
TPSA455.65 Ų
H-Bond Donors6
H-Bond Acceptors34
Rotatable Bonds
Heavy Atoms286
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004311.55
LogP ≤ 565.58
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1034

Analyze 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan;3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene;3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene 2,2-dioxide;1,3,3a,4,5,6,7,7a-octahydro-2-benzothiophene 2,2-dioxide;1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2-azabicyclo[2.2.1]heptane;8-azabicyclo[3.2.1]octane;2-azaspiro[3.3]heptane;2,2-dimethylpropane;2λ6-thiaspiro[3.3]heptane 2,2-dioxide;2λ6-thiaspiro[3.5]nonane 2,2-dioxide;2λ6-thiaspiro[3.4]octane 2,2-dioxide;3λ6-thiaspiro[5.5]undecane 3,3-dioxide;tricosakis(2-methylpropane);morpholine;2-oxabicyclo[2.2.1]heptane;8-oxabicyclo[3.2.1]octane;2-oxaspiro[3.3]heptane;oxolane;1H-pyridin-2-one;thiane;thiane 1,1-dioxide;2-thiaspiro[3.3]heptane;thietane 1,1-dioxide;thiolane;thiolane 1,1-dioxide with MolForge

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Related Compounds

5-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan;5-tert-butyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;6-tert-butyl-2-azaspiro[3.3]heptane;6-tert-butyl-2lambda6-thiaspiro[3.3]heptane 2,2-dioxide;7-tert-butyl-2lambda6-thiaspiro[3.5]nonane 2,2-dioxide;6-tert-butyl-2lambda6-thiaspiro[3.4]octane 2,2-dioxide;9-tert-butyl-3lambda6-thiaspiro[5.5]undecane 3,3-dioxide;4-tert-butyloxane;6-tert-butyl-2-oxaspiro[3.3]heptane;3-tert-butyloxolane;4-tert-butylpiperidine;3-tert-butylpyrrolidine;4-tert-butylthiane 1,1-dioxide;3-tert-butylthietane 1,1-dioxide;3-tert-butylthiolane 1,1-dioxide;5-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene 2,2-dioxide;5-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydro-2-benzothiophene 2,2-dioxide;4-propan-2-ylmorpholine;5-propan-2-yl-1H-pyridin-2-one
CID 158029639
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan;3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene;3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene 2,2-dioxide;1,3,3a,4,5,6,7,7a-octahydro-2-benzothiophene 2,2-dioxide;1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2-azaspiro[3.3]heptane;2,2-dimethylpropane;2lambda6-thiaspiro[3.3]heptane 2,2-dioxide;2lambda6-thiaspiro[3.5]nonane 2,2-dioxide;2lambda6-thiaspiro[3.4]octane 2,2-dioxide;henicosakis(2-methylpropane);morpholine;oxane;2-oxaspiro[3.3]heptane;oxolane;piperidine;1H-pyridin-2-one;pyrrolidine;thiane;thiane 1,1-dioxide;2-thiaspiro[3.3]heptane;thietane 1,1-dioxide;thiolane;thiolane 1,1-dioxide
CID 160193449

Frequently Asked Questions

What is the IUPAC name of 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan;3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene;3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene 2,2-dioxide;1,3,3a,4,5,6,7,7a-octahydro-2-benzothiophene 2,2-dioxide;1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2-azabicyclo[2.2.1]heptane;8-azabicyclo[3.2.1]octane;2-azaspiro[3.3]heptane;2,2-dimethylpropane;2λ6-thiaspiro[3.3]heptane 2,2-dioxide;2λ6-thiaspiro[3.5]nonane 2,2-dioxide;2λ6-thiaspiro[3.4]octane 2,2-dioxide;3λ6-thiaspiro[5.5]undecane 3,3-dioxide;tricosakis(2-methylpropane);morpholine;2-oxabicyclo[2.2.1]heptane;8-oxabicyclo[3.2.1]octane;2-oxaspiro[3.3]heptane;oxolane;1H-pyridin-2-one;thiane;thiane 1,1-dioxide;2-thiaspiro[3.3]heptane;thietane 1,1-dioxide;thiolane;thiolane 1,1-dioxide?
The IUPAC name of 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan;3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene;3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene 2,2-dioxide;1,3,3a,4,5,6,7,7a-octahydro-2-benzothiophene 2,2-dioxide;1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2-azabicyclo[2.2.1]heptane;8-azabicyclo[3.2.1]octane;2-azaspiro[3.3]heptane;2,2-dimethylpropane;2λ6-thiaspiro[3.3]heptane 2,2-dioxide;2λ6-thiaspiro[3.5]nonane 2,2-dioxide;2λ6-thiaspiro[3.4]octane 2,2-dioxide;3λ6-thiaspiro[5.5]undecane 3,3-dioxide;tricosakis(2-methylpropane);morpholine;2-oxabicyclo[2.2.1]heptane;8-oxabicyclo[3.2.1]octane;2-oxaspiro[3.3]heptane;oxolane;1H-pyridin-2-one;thiane;thiane 1,1-dioxide;2-thiaspiro[3.3]heptane;thietane 1,1-dioxide;thiolane;thiolane 1,1-dioxide (CID 161277105) is 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan;3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene;3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene 2,2-dioxide;1,3,3a,4,5,6,7,7a-octahydro-2-benzothiophene 2,2-dioxide;1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2-azabicyclo[2.2.1]heptane;8-azabicyclo[3.2.1]octane;2-azaspiro[3.3]heptane;2,2-dimethylpropane;2λ6-thiaspiro[3.3]heptane 2,2-dioxide;2λ6-thiaspiro[3.5]nonane 2,2-dioxide;2λ6-thiaspiro[3.4]octane 2,2-dioxide;3λ6-thiaspiro[5.5]undecane 3,3-dioxide;tricosakis(2-methylpropane);morpholine;2-oxabicyclo[2.2.1]heptane;8-oxabicyclo[3.2.1]octane;2-oxaspiro[3.3]heptane;oxolane;1H-pyridin-2-one;thiane;thiane 1,1-dioxide;2-thiaspiro[3.3]heptane;thietane 1,1-dioxide;thiolane;thiolane 1,1-dioxide.
What is the SMILES notation for 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan;3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene;3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene 2,2-dioxide;1,3,3a,4,5,6,7,7a-octahydro-2-benzothiophene 2,2-dioxide;1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2-azabicyclo[2.2.1]heptane;8-azabicyclo[3.2.1]octane;2-azaspiro[3.3]heptane;2,2-dimethylpropane;2λ6-thiaspiro[3.3]heptane 2,2-dioxide;2λ6-thiaspiro[3.5]nonane 2,2-dioxide;2λ6-thiaspiro[3.4]octane 2,2-dioxide;3λ6-thiaspiro[5.5]undecane 3,3-dioxide;tricosakis(2-methylpropane);morpholine;2-oxabicyclo[2.2.1]heptane;8-oxabicyclo[3.2.1]octane;2-oxaspiro[3.3]heptane;oxolane;1H-pyridin-2-one;thiane;thiane 1,1-dioxide;2-thiaspiro[3.3]heptane;thietane 1,1-dioxide;thiolane;thiolane 1,1-dioxide?
The canonical SMILES for 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan;3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene;3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene 2,2-dioxide;1,3,3a,4,5,6,7,7a-octahydro-2-benzothiophene 2,2-dioxide;1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2-azabicyclo[2.2.1]heptane;8-azabicyclo[3.2.1]octane;2-azaspiro[3.3]heptane;2,2-dimethylpropane;2λ6-thiaspiro[3.3]heptane 2,2-dioxide;2λ6-thiaspiro[3.5]nonane 2,2-dioxide;2λ6-thiaspiro[3.4]octane 2,2-dioxide;3λ6-thiaspiro[5.5]undecane 3,3-dioxide;tricosakis(2-methylpropane);morpholine;2-oxabicyclo[2.2.1]heptane;8-oxabicyclo[3.2.1]octane;2-oxaspiro[3.3]heptane;oxolane;1H-pyridin-2-one;thiane;thiane 1,1-dioxide;2-thiaspiro[3.3]heptane;thietane 1,1-dioxide;thiolane;thiolane 1,1-dioxide is C1CC2(C1)CNC2.C1CC2(C1)COC2.C1CC2(C1)CSC2.C1CC2CC1CN2.C1CC2CC1CO2.C1CC2CCC(C1)N2.C1CC2CCC(C1)O2.C1CC2CNCC2C1.C1CC2COCC2C1.C1CC2CSCC2C1.C1CCOC1.C1CCSC1.C1CCSCC1.C1COCCN1.CC(C)(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.O=S1(=O)CC2(CCC2)C1.O=S1(=O)CC2(CCCC2)C1.O=S1(=O)CC2(CCCCC2)C1.O=S1(=O)CC2CCCC2C1.O=S1(=O)CC2CCCCC2C1.O=S1(=O)CCC1.O=S1(=O)CCC2(CCCCC2)CC1.O=S1(=O)CCCC1.O=S1(=O)CCCCC1.O=c1cccc[nH]1.
What is the InChIKey of 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan;3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene;3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene 2,2-dioxide;1,3,3a,4,5,6,7,7a-octahydro-2-benzothiophene 2,2-dioxide;1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2-azabicyclo[2.2.1]heptane;8-azabicyclo[3.2.1]octane;2-azaspiro[3.3]heptane;2,2-dimethylpropane;2λ6-thiaspiro[3.3]heptane 2,2-dioxide;2λ6-thiaspiro[3.5]nonane 2,2-dioxide;2λ6-thiaspiro[3.4]octane 2,2-dioxide;3λ6-thiaspiro[5.5]undecane 3,3-dioxide;tricosakis(2-methylpropane);morpholine;2-oxabicyclo[2.2.1]heptane;8-oxabicyclo[3.2.1]octane;2-oxaspiro[3.3]heptane;oxolane;1H-pyridin-2-one;thiane;thiane 1,1-dioxide;2-thiaspiro[3.3]heptane;thietane 1,1-dioxide;thiolane;thiolane 1,1-dioxide?
The InChIKey is VEOSNZWZSAMEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2S.2C8H14O2S.2C7H13N.2C7H12O2S.2C7H12O.C7H12S.2C6H11N.C6H10O2S.2C6H10O.C6H10S.C5H5NO.C5H10O2S.C5H10S.C5H12.C4H9NO.C4H8O2S.C4H8O.C4H8S.23C4H10.C3H6O2S/c11-13(12)8-6-10(7-9-13)4-2-1-3-5-10;9-11(10)5-7-3-1-2-4-8(7)6-11;9-11(10)6-8(7-11)4-2-1-3-5-8;1-2-6-4-8-5-7(6)3-1;1-2-6-4-5-7(3-1)8-6;8-10(9)4-6-2-1-3-7(6)5-10;8-10(9)5-7(6-10)3-1-2-4-7;1-2-6-4-8-5-7(6)3-1;1-2-6-4-5-7(3-1)8-6;1-2-6-4-8-5-7(6)3-1;1-2-6-3-5(1)4-7-6;1-2-6(3-1)4-7-5-6;7-9(8)4-6(5-9)2-1-3-6;1-2-6-3-5(1)4-7-6;2*1-2-6(3-1)4-7-5-6;7-5-3-1-2-4-6-5;6-8(7)4-2-1-3-5-8;1-2-4-6-5-3-1;1-5(2,3)4;1-3-6-4-2-5-1;5-7(6)3-1-2-4-7;2*1-2-4-5-3-1;23*1-4(2)3;4-6(5)2-1-3-6/h1-9H2;7-8H,1-6H2;1-7H2;2*6-8H,1-5H2;6-7H,1-5H2;1-6H2;3*6-7H,1-5H2;5-7H,1-4H2;7H,1-5H2;1-5H2;5-6H,1-4H2;2*1-5H2;1-4H,(H,6,7);1-5H2;1-5H2;1-4H3;5H,1-4H2;1-4H2;2*1-4H2;23*4H,1-3H3;1-3H2.
What are the key properties of 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan;3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene;3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene 2,2-dioxide;1,3,3a,4,5,6,7,7a-octahydro-2-benzothiophene 2,2-dioxide;1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2-azabicyclo[2.2.1]heptane;8-azabicyclo[3.2.1]octane;2-azaspiro[3.3]heptane;2,2-dimethylpropane;2λ6-thiaspiro[3.3]heptane 2,2-dioxide;2λ6-thiaspiro[3.5]nonane 2,2-dioxide;2λ6-thiaspiro[3.4]octane 2,2-dioxide;3λ6-thiaspiro[5.5]undecane 3,3-dioxide;tricosakis(2-methylpropane);morpholine;2-oxabicyclo[2.2.1]heptane;8-oxabicyclo[3.2.1]octane;2-oxaspiro[3.3]heptane;oxolane;1H-pyridin-2-one;thiane;thiane 1,1-dioxide;2-thiaspiro[3.3]heptane;thietane 1,1-dioxide;thiolane;thiolane 1,1-dioxide?
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan;3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene;3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene 2,2-dioxide;1,3,3a,4,5,6,7,7a-octahydro-2-benzothiophene 2,2-dioxide;1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2-azabicyclo[2.2.1]heptane;8-azabicyclo[3.2.1]octane;2-azaspiro[3.3]heptane;2,2-dimethylpropane;2λ6-thiaspiro[3.3]heptane 2,2-dioxide;2λ6-thiaspiro[3.5]nonane 2,2-dioxide;2λ6-thiaspiro[3.4]octane 2,2-dioxide;3λ6-thiaspiro[5.5]undecane 3,3-dioxide;tricosakis(2-methylpropane);morpholine;2-oxabicyclo[2.2.1]heptane;8-oxabicyclo[3.2.1]octane;2-oxaspiro[3.3]heptane;oxolane;1H-pyridin-2-one;thiane;thiane 1,1-dioxide;2-thiaspiro[3.3]heptane;thietane 1,1-dioxide;thiolane;thiolane 1,1-dioxide has a molecular weight of 4311.55 g/mol, XLogP of 65.58, 0 rotatable bonds, 6 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan;3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene;3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene 2,2-dioxide;1,3,3a,4,5,6,7,7a-octahydro-2-benzothiophene 2,2-dioxide;1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2-azabicyclo[2.2.1]heptane;8-azabicyclo[3.2.1]octane;2-azaspiro[3.3]heptane;2,2-dimethylpropane;2λ6-thiaspiro[3.3]heptane 2,2-dioxide;2λ6-thiaspiro[3.5]nonane 2,2-dioxide;2λ6-thiaspiro[3.4]octane 2,2-dioxide;3λ6-thiaspiro[5.5]undecane 3,3-dioxide;tricosakis(2-methylpropane);morpholine;2-oxabicyclo[2.2.1]heptane;8-oxabicyclo[3.2.1]octane;2-oxaspiro[3.3]heptane;oxolane;1H-pyridin-2-one;thiane;thiane 1,1-dioxide;2-thiaspiro[3.3]heptane;thietane 1,1-dioxide;thiolane;thiolane 1,1-dioxide is sourced from PubChem (CID 161277105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).