3-ethyl-2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophene

C12H18S — CID 155737642

IUPAC3-ethyl-2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophene
SMILESCCc1c(C(C)C)sc2c1CCC2
InChIInChI=1S/C12H18S/c1-4-9-10-6-5-7-11(10)13-12(9)8(2)3/h8H,4-7H2,1-3H3
InChIKeyXBOUJIBOIUEWSN-UHFFFAOYSA-N
MW194.34 g/mol
LogP3.92
Rot. Bonds2

About 3-ethyl-2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophene

3-ethyl-2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophene (PubChem CID 155737642) has the molecular formula C12H18S and a molecular weight of 194.34 g/mol. Its IUPAC name is 3-ethyl-2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophene.

Molecular Properties

Compound Name3-ethyl-2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophene
PubChem CID155737642
Molecular FormulaC12H18S
Molecular Weight194.34 g/mol
Exact Mass194.11
IUPAC Name3-ethyl-2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophene
SMILESCCc1c(C(C)C)sc2c1CCC2
InChIInChI=1S/C12H18S/c1-4-9-10-6-5-7-11(10)13-12(9)8(2)3/h8H,4-7H2,1-3H3
InChIKeyXBOUJIBOIUEWSN-UHFFFAOYSA-N
XLogP3.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.34
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophene
CID 123704110
1,3-dimethyl-4-[(2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)methyl]-5,6-dihydro-4H-cyclopenta[c]thiophene
CID 155400717
3,6-diethyl-2,5-di(propan-2-yl)thieno[3,2-b]thiophene
CID 176857673
2-butan-2-yl-3-fluoro-4,5,6,7-tetrahydro-1-benzothiophene
CID 143781055
1-methyl-3-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]thiophene
CID 155737590
N-ethyl-10-propan-2-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
CID 62189030
2-(3-bromo-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanoic acid
CID 84814666
3-(aminomethyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
CID 145481792
[15,23,31-tris(aminomethyl)-6,8,14,16,22,24,30,32,33,34,35,36-dodecaethyl-7-pentacyclo[27.3.1.15,9.113,17.121,25]hexatriaconta-1(33),5(36),6,8,13(35),14,16,21,23,25(34),29,31-dodecaenyl]methanamine
CID 101010560
3,4-diethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinoline
CID 102341869
N-[(2S)-pentan-2-yl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
CID 7831257
methyl 2-[(2-propan-2-yloxyacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 115609864

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophene?
The IUPAC name of 3-ethyl-2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophene (CID 155737642) is 3-ethyl-2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophene.
What is the SMILES notation for 3-ethyl-2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophene?
The canonical SMILES for 3-ethyl-2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophene is CCc1c(C(C)C)sc2c1CCC2.
What is the InChIKey of 3-ethyl-2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophene?
The InChIKey is XBOUJIBOIUEWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18S/c1-4-9-10-6-5-7-11(10)13-12(9)8(2)3/h8H,4-7H2,1-3H3.
What are the key properties of 3-ethyl-2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophene?
3-ethyl-2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophene has a molecular weight of 194.34 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophene is sourced from PubChem (CID 155737642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).