2-amino-3-cyclopentyl-6-methyl-6,7-dihydro-5H-1-benzothiophen-4-one

C14H19NOS — CID 82378198

IUPAC2-amino-3-cyclopentyl-6-methyl-6,7-dihydro-5H-1-benzothiophen-4-one
SMILESCC1CC(=O)c2c(sc(N)c2C2CCCC2)C1
InChIInChI=1S/C14H19NOS/c1-8-6-10(16)13-11(7-8)17-14(15)12(13)9-4-2-3-5-9/h8-9H,2-7,15H2,1H3
InChIKeyOHPZSDQEVNZOGE-UHFFFAOYSA-N
MW249.38 g/mol
LogP3.75
Rot. Bonds1

About 2-amino-3-cyclopentyl-6-methyl-6,7-dihydro-5H-1-benzothiophen-4-one

2-amino-3-cyclopentyl-6-methyl-6,7-dihydro-5H-1-benzothiophen-4-one (PubChem CID 82378198) has the molecular formula C14H19NOS and a molecular weight of 249.38 g/mol. Its IUPAC name is 2-amino-3-cyclopentyl-6-methyl-6,7-dihydro-5H-1-benzothiophen-4-one.

Molecular Properties

Compound Name2-amino-3-cyclopentyl-6-methyl-6,7-dihydro-5H-1-benzothiophen-4-one
PubChem CID82378198
Molecular FormulaC14H19NOS
Molecular Weight249.38 g/mol
Exact Mass249.12
IUPAC Name2-amino-3-cyclopentyl-6-methyl-6,7-dihydro-5H-1-benzothiophen-4-one
SMILESCC1CC(=O)c2c(sc(N)c2C2CCCC2)C1
InChIInChI=1S/C14H19NOS/c1-8-6-10(16)13-11(7-8)17-14(15)12(13)9-4-2-3-5-9/h8-9H,2-7,15H2,1H3
InChIKeyOHPZSDQEVNZOGE-UHFFFAOYSA-N
XLogP3.75
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclohexyl-4,5-dimethylthiophen-2-amine
CID 82366166
2,4,7-trimethyl-7,8-dihydro-6H-quinazolin-5-one
CID 22948964
methyl 2-amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 2756506
6-methyl-4-oxo-6,7-dihydro-5H-1-benzothiophene-2-sulfonamide
CID 118218035
2-amino-4,6-dimethyl-N-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 64776773
2-amino-N,6-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 43367164
2-cyclopentyl-4-cyclopropyl-1,3-thiazol-5-amine
CID 62077032
(2E)-2-(4-methyl-2-oxocyclopentylidene)acetic acid
CID 70518884
5-amino-2-cyclopentyl-1,3-thiazole-4-carboxylic acid
CID 83703476
1-(2-aminocyclohexyl)-4-methylpyrrolidin-2-one
CID 67105616
(4R)-2-amino-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 735029
methyl 5-amino-2-cyclooctyl-1,3-thiazole-4-carboxylate
CID 103199596

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-cyclopentyl-6-methyl-6,7-dihydro-5H-1-benzothiophen-4-one?
The IUPAC name of 2-amino-3-cyclopentyl-6-methyl-6,7-dihydro-5H-1-benzothiophen-4-one (CID 82378198) is 2-amino-3-cyclopentyl-6-methyl-6,7-dihydro-5H-1-benzothiophen-4-one.
What is the SMILES notation for 2-amino-3-cyclopentyl-6-methyl-6,7-dihydro-5H-1-benzothiophen-4-one?
The canonical SMILES for 2-amino-3-cyclopentyl-6-methyl-6,7-dihydro-5H-1-benzothiophen-4-one is CC1CC(=O)c2c(sc(N)c2C2CCCC2)C1.
What is the InChIKey of 2-amino-3-cyclopentyl-6-methyl-6,7-dihydro-5H-1-benzothiophen-4-one?
The InChIKey is OHPZSDQEVNZOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NOS/c1-8-6-10(16)13-11(7-8)17-14(15)12(13)9-4-2-3-5-9/h8-9H,2-7,15H2,1H3.
What are the key properties of 2-amino-3-cyclopentyl-6-methyl-6,7-dihydro-5H-1-benzothiophen-4-one?
2-amino-3-cyclopentyl-6-methyl-6,7-dihydro-5H-1-benzothiophen-4-one has a molecular weight of 249.38 g/mol, XLogP of 3.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-cyclopentyl-6-methyl-6,7-dihydro-5H-1-benzothiophen-4-one is sourced from PubChem (CID 82378198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).