ethane;4-ethyl-3-[(Z)-prop-1-enyl]-1-thia-8-azaspiro[4.5]dec-3-ene

C15H27NS — CID 142139244

IUPACethane;4-ethyl-3-[(Z)-prop-1-enyl]-1-thia-8-azaspiro[4.5]dec-3-ene
SMILESC/C=C\C1=C(CC)C2(CCNCC2)SC1.CC
InChIInChI=1S/C13H21NS.C2H6/c1-3-5-11-10-15-13(12(11)4-2)6-8-14-9-7-13;1-2/h3,5,14H,4,6-10H2,1-2H3;1-2H3/b5-3-;
InChIKeyMYHIZJGITDILDG-FBZPGIPVSA-N
MW253.45 g/mol
LogP4.16
Rot. Bonds2

About ethane;4-ethyl-3-[(Z)-prop-1-enyl]-1-thia-8-azaspiro[4.5]dec-3-ene

ethane;4-ethyl-3-[(Z)-prop-1-enyl]-1-thia-8-azaspiro[4.5]dec-3-ene (PubChem CID 142139244) has the molecular formula C15H27NS and a molecular weight of 253.45 g/mol. Its IUPAC name is ethane;4-ethyl-3-[(Z)-prop-1-enyl]-1-thia-8-azaspiro[4.5]dec-3-ene.

Molecular Properties

Compound Nameethane;4-ethyl-3-[(Z)-prop-1-enyl]-1-thia-8-azaspiro[4.5]dec-3-ene
PubChem CID142139244
Molecular FormulaC15H27NS
Molecular Weight253.45 g/mol
Exact Mass253.19
IUPAC Nameethane;4-ethyl-3-[(Z)-prop-1-enyl]-1-thia-8-azaspiro[4.5]dec-3-ene
SMILESC/C=C\C1=C(CC)C2(CCNCC2)SC1.CC
InChIInChI=1S/C13H21NS.C2H6/c1-3-5-11-10-15-13(12(11)4-2)6-8-14-9-7-13;1-2/h3,5,14H,4,6-10H2,1-2H3;1-2H3/b5-3-;
InChIKeyMYHIZJGITDILDG-FBZPGIPVSA-N
XLogP4.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.45
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-Cyclohexa-2,4-dien-1-ylsulfanylethyl)piperidine
CID 91246908
N-pentyl-2,3,3a,7a-tetrahydro-1-benzothiophen-2-amine
CID 91300174
N-ethyl-3,3a,8,8a-tetrahydro-2H-cyclohepta[b]thiophen-3-amine
CID 91535702
4-[(5-methyl-4H-thiopyran-2-yl)methylidene]piperidine
CID 123443076
2-methylidene-5,6,7,7a-tetrahydro-4H-thieno[3,2-c]pyridine
CID 129089016
3-[6-(2-cyclobutylethyl)-2H-thiopyran-5-yl]-N-methylbutan-1-amine
CID 132196172
4-[Cyclohexa-1,5-dien-1-yl(2,3-dihydrothiophen-2-yl)methylidene]piperidine
CID 141793653
3,4-Bis(ethenyl)-1-thia-8-azaspiro[4.5]dec-3-ene
CID 141834193
Ethane;3-ethenyl-4-methyl-2-methylsulfanyl-8-azaspiro[4.5]dec-3-ene
CID 141908181
4-[(1Z)-buta-1,3-dienyl]-3-methyl-2-thia-8-azaspiro[4.5]dec-3-ene;ethane
CID 141908667
ethane;spiro[6,7-dihydro-2H-1-benzothiophene-3,4'-piperidine]
CID 142015041
4-[(1Z)-buta-1,3-dienyl]-3-ethenyl-2-thia-8-azaspiro[4.5]dec-3-ene;ethane
CID 142015385

Frequently Asked Questions

What is the IUPAC name of ethane;4-ethyl-3-[(Z)-prop-1-enyl]-1-thia-8-azaspiro[4.5]dec-3-ene?
The IUPAC name of ethane;4-ethyl-3-[(Z)-prop-1-enyl]-1-thia-8-azaspiro[4.5]dec-3-ene (CID 142139244) is ethane;4-ethyl-3-[(Z)-prop-1-enyl]-1-thia-8-azaspiro[4.5]dec-3-ene.
What is the SMILES notation for ethane;4-ethyl-3-[(Z)-prop-1-enyl]-1-thia-8-azaspiro[4.5]dec-3-ene?
The canonical SMILES for ethane;4-ethyl-3-[(Z)-prop-1-enyl]-1-thia-8-azaspiro[4.5]dec-3-ene is C/C=C\C1=C(CC)C2(CCNCC2)SC1.CC.
What is the InChIKey of ethane;4-ethyl-3-[(Z)-prop-1-enyl]-1-thia-8-azaspiro[4.5]dec-3-ene?
The InChIKey is MYHIZJGITDILDG-FBZPGIPVSA-N. The full InChI is InChI=1S/C13H21NS.C2H6/c1-3-5-11-10-15-13(12(11)4-2)6-8-14-9-7-13;1-2/h3,5,14H,4,6-10H2,1-2H3;1-2H3/b5-3-;.
What are the key properties of ethane;4-ethyl-3-[(Z)-prop-1-enyl]-1-thia-8-azaspiro[4.5]dec-3-ene?
ethane;4-ethyl-3-[(Z)-prop-1-enyl]-1-thia-8-azaspiro[4.5]dec-3-ene has a molecular weight of 253.45 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethyl-3-[(Z)-prop-1-enyl]-1-thia-8-azaspiro[4.5]dec-3-ene is sourced from PubChem (CID 142139244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).