1-(4-chlorothiophen-2-yl)-N-cyclopentyl-N-ethylethane-1,2-diamine

C13H21ClN2S — CID 79428051

IUPAC1-(4-chlorothiophen-2-yl)-N-cyclopentyl-N-ethylethane-1,2-diamine
SMILESCCN(C1CCCC1)C(CN)c1cc(Cl)cs1
InChIInChI=1S/C13H21ClN2S/c1-2-16(11-5-3-4-6-11)12(8-15)13-7-10(14)9-17-13/h7,9,11-12H,2-6,8,15H2,1H3
InChIKeyGCKSTJNPRPXWEL-UHFFFAOYSA-N
MW272.84 g/mol
LogP3.67
Rot. Bonds5

About 1-(4-chlorothiophen-2-yl)-N-cyclopentyl-N-ethylethane-1,2-diamine

1-(4-chlorothiophen-2-yl)-N-cyclopentyl-N-ethylethane-1,2-diamine (PubChem CID 79428051) has the molecular formula C13H21ClN2S and a molecular weight of 272.84 g/mol. Its IUPAC name is 1-(4-chlorothiophen-2-yl)-N-cyclopentyl-N-ethylethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-chlorothiophen-2-yl)-N-cyclopentyl-N-ethylethane-1,2-diamine
PubChem CID79428051
Molecular FormulaC13H21ClN2S
Molecular Weight272.84 g/mol
Exact Mass272.11
IUPAC Name1-(4-chlorothiophen-2-yl)-N-cyclopentyl-N-ethylethane-1,2-diamine
SMILESCCN(C1CCCC1)C(CN)c1cc(Cl)cs1
InChIInChI=1S/C13H21ClN2S/c1-2-16(11-5-3-4-6-11)12(8-15)13-7-10(14)9-17-13/h7,9,11-12H,2-6,8,15H2,1H3
InChIKeyGCKSTJNPRPXWEL-UHFFFAOYSA-N
XLogP3.67
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.84
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-chlorothiophen-2-yl)-N-cyclopentyl-N-ethylethane-1,2-diamine 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-(4-chlorothiophen-2-yl)-N,N-diethylethane-1,2-diamine
CID 79427710
N-cyclohexyl-1-(3,5-dichlorophenyl)-N-ethylethane-1,2-diamine
CID 60790302
(1R)-1-(4-chlorothiophen-2-yl)-N,N-dimethylethane-1,2-diamine
CID 124500651
1-(3-chloro-5-fluorophenyl)-N-cyclohexyl-N-ethylethane-1,2-diamine
CID 114453222
1-(3-chloro-4-fluorophenyl)-N-cyclopentyl-N-ethylethane-1,2-diamine
CID 81144764
1-(4-chlorothiophen-2-yl)-N-(cyclopropylmethyl)-N-propan-2-ylethane-1,2-diamine
CID 79428176
1-(4-chlorothiophen-2-yl)-N-(3,3-dimethylbutan-2-yl)-N-methylethane-1,2-diamine
CID 79427389
1-(4-chlorothiophen-2-yl)-N-methyl-N-(oxan-3-ylmethyl)ethane-1,2-diamine
CID 79427953
1-(4-chlorothiophen-2-yl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylethane-1,2-diamine
CID 105414053
1-(5-bromo-2-fluorophenyl)-N-cyclopentyl-N-ethylethane-1,2-diamine
CID 43540902
N-cyclopropyl-N-ethyl-1-(5-methylthiophen-2-yl)ethane-1,2-diamine
CID 43264016
1-(4-chlorothiophen-2-yl)-N-cyclopentylethane-1,2-diamine
CID 79426966

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorothiophen-2-yl)-N-cyclopentyl-N-ethylethane-1,2-diamine?
The IUPAC name of 1-(4-chlorothiophen-2-yl)-N-cyclopentyl-N-ethylethane-1,2-diamine (CID 79428051) is 1-(4-chlorothiophen-2-yl)-N-cyclopentyl-N-ethylethane-1,2-diamine.
What is the SMILES notation for 1-(4-chlorothiophen-2-yl)-N-cyclopentyl-N-ethylethane-1,2-diamine?
The canonical SMILES for 1-(4-chlorothiophen-2-yl)-N-cyclopentyl-N-ethylethane-1,2-diamine is CCN(C1CCCC1)C(CN)c1cc(Cl)cs1.
What is the InChIKey of 1-(4-chlorothiophen-2-yl)-N-cyclopentyl-N-ethylethane-1,2-diamine?
The InChIKey is GCKSTJNPRPXWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2S/c1-2-16(11-5-3-4-6-11)12(8-15)13-7-10(14)9-17-13/h7,9,11-12H,2-6,8,15H2,1H3.
What are the key properties of 1-(4-chlorothiophen-2-yl)-N-cyclopentyl-N-ethylethane-1,2-diamine?
1-(4-chlorothiophen-2-yl)-N-cyclopentyl-N-ethylethane-1,2-diamine has a molecular weight of 272.84 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorothiophen-2-yl)-N-cyclopentyl-N-ethylethane-1,2-diamine is sourced from PubChem (CID 79428051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).