1-(3-chlorothiophen-2-yl)-2-(cyclopropylmethylamino)ethanone

C10H12ClNOS — CID 107361387

IUPAC1-(3-chlorothiophen-2-yl)-2-(cyclopropylmethylamino)ethanone
SMILESO=C(CNCC1CC1)c1sccc1Cl
InChIInChI=1S/C10H12ClNOS/c11-8-3-4-14-10(8)9(13)6-12-5-7-1-2-7/h3-4,7,12H,1-2,5-6H2
InChIKeyCACIJUBAQKSUKZ-UHFFFAOYSA-N
MW229.73 g/mol
LogP2.58
Rot. Bonds5

About 1-(3-chlorothiophen-2-yl)-2-(cyclopropylmethylamino)ethanone

1-(3-chlorothiophen-2-yl)-2-(cyclopropylmethylamino)ethanone (PubChem CID 107361387) has the molecular formula C10H12ClNOS and a molecular weight of 229.73 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)-2-(cyclopropylmethylamino)ethanone.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)-2-(cyclopropylmethylamino)ethanone
PubChem CID107361387
Molecular FormulaC10H12ClNOS
Molecular Weight229.73 g/mol
Exact Mass229.03
IUPAC Name1-(3-chlorothiophen-2-yl)-2-(cyclopropylmethylamino)ethanone
SMILESO=C(CNCC1CC1)c1sccc1Cl
InChIInChI=1S/C10H12ClNOS/c11-8-3-4-14-10(8)9(13)6-12-5-7-1-2-7/h3-4,7,12H,1-2,5-6H2
InChIKeyCACIJUBAQKSUKZ-UHFFFAOYSA-N
XLogP2.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.73
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-chlorothiophen-2-yl)-2-(cyclopropylmethylamino)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chlorothiophen-2-yl)-2-cycloheptylethanone
CID 114457393
1-(3-chlorothiophen-2-yl)-2-(prop-2-enylamino)ethanone
CID 107361494
2-[(4-chlorophenyl)methylamino]-1-(3-chlorothiophen-2-yl)ethanone
CID 152710576
1-(3-chloro-4-methylphenyl)-2-(cyclopropylmethylamino)ethanone
CID 107561237
(3-chlorothiophen-2-yl)-cyclopentylmethanone
CID 80530065
1-(3-chlorothiophen-2-yl)-2-methylsulfanylethanone
CID 80645182
3-chloro-N-cyclopentyloxythiophene-2-carboxamide
CID 83235964
N-[(3-bromocyclohexyl)methyl]-3-chlorothiophene-2-carboxamide
CID 106133249
N-[2-(3-chlorothiophen-2-yl)-2-oxoethyl]-1-hydroxy-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 171432840
6-chloro-N-[2-(3-chlorothiophen-2-yl)-2-oxoethyl]pyridine-3-carboxamide
CID 22147914
N-[(2-bromocyclopentyl)methyl]-3-chlorothiophene-2-carboxamide
CID 114313867
3-chloro-N-(2-chloroethyl)-N-cyclopropylthiophene-2-carboxamide
CID 80641189

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)-2-(cyclopropylmethylamino)ethanone?
The IUPAC name of 1-(3-chlorothiophen-2-yl)-2-(cyclopropylmethylamino)ethanone (CID 107361387) is 1-(3-chlorothiophen-2-yl)-2-(cyclopropylmethylamino)ethanone.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)-2-(cyclopropylmethylamino)ethanone?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)-2-(cyclopropylmethylamino)ethanone is O=C(CNCC1CC1)c1sccc1Cl.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)-2-(cyclopropylmethylamino)ethanone?
The InChIKey is CACIJUBAQKSUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNOS/c11-8-3-4-14-10(8)9(13)6-12-5-7-1-2-7/h3-4,7,12H,1-2,5-6H2.
What are the key properties of 1-(3-chlorothiophen-2-yl)-2-(cyclopropylmethylamino)ethanone?
1-(3-chlorothiophen-2-yl)-2-(cyclopropylmethylamino)ethanone has a molecular weight of 229.73 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorothiophen-2-yl)-2-(cyclopropylmethylamino)ethanone is sourced from PubChem (CID 107361387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).