3-(3-chlorothiophen-2-yl)-N-propylcycloheptan-1-amine

C14H22ClNS — CID 107360797

IUPAC3-(3-chlorothiophen-2-yl)-N-propylcycloheptan-1-amine
SMILESCCCNC1CCCCC(c2sccc2Cl)C1
InChIInChI=1S/C14H22ClNS/c1-2-8-16-12-6-4-3-5-11(10-12)14-13(15)7-9-17-14/h7,9,11-12,16H,2-6,8,10H2,1H3
InChIKeyWSVFFGJZZPXOSS-UHFFFAOYSA-N
MW271.86 g/mol
LogP4.82
Rot. Bonds4

About 3-(3-chlorothiophen-2-yl)-N-propylcycloheptan-1-amine

3-(3-chlorothiophen-2-yl)-N-propylcycloheptan-1-amine (PubChem CID 107360797) has the molecular formula C14H22ClNS and a molecular weight of 271.86 g/mol. Its IUPAC name is 3-(3-chlorothiophen-2-yl)-N-propylcycloheptan-1-amine.

Molecular Properties

Compound Name3-(3-chlorothiophen-2-yl)-N-propylcycloheptan-1-amine
PubChem CID107360797
Molecular FormulaC14H22ClNS
Molecular Weight271.86 g/mol
Exact Mass271.12
IUPAC Name3-(3-chlorothiophen-2-yl)-N-propylcycloheptan-1-amine
SMILESCCCNC1CCCCC(c2sccc2Cl)C1
InChIInChI=1S/C14H22ClNS/c1-2-8-16-12-6-4-3-5-11(10-12)14-13(15)7-9-17-14/h7,9,11-12,16H,2-6,8,10H2,1H3
InChIKeyWSVFFGJZZPXOSS-UHFFFAOYSA-N
XLogP4.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.86
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(3-chlorothiophen-2-yl)-N-propylcycloheptan-1-amine 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

3-(3-chlorothiophen-2-yl)-N-ethylcyclohexan-1-amine
CID 107360790
3-[(3-chlorothiophen-2-yl)methyl]-N-propylcycloheptan-1-amine
CID 112749641
3-(3-chloro-4-methylphenyl)-N-propylcycloheptan-1-amine
CID 107560968
3-(4-bromothiophen-3-yl)-N-propylcycloheptan-1-amine
CID 79601274
3-(3-cyclobutylphenyl)-N-propylcyclohexan-1-amine
CID 114606245
N-ethyl-3-(3-methylthiophen-2-yl)cyclopentan-1-amine
CID 79995426
N-propyl-3-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine
CID 79824744
3-(2,4-dichlorophenyl)-N-propylcyclopentan-1-amine
CID 114281133
3-(3-chloro-4-methylphenyl)-N-ethylcycloheptan-1-amine
CID 107560967
3-(4-methyl-3-pyridinyl)-N-propylcyclohexan-1-amine
CID 66272337
azane;N-propylcyclohexanamine
CID 19368218
N-propylcyclohexanamine;hydrochloride
CID 17370003

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorothiophen-2-yl)-N-propylcycloheptan-1-amine?
The IUPAC name of 3-(3-chlorothiophen-2-yl)-N-propylcycloheptan-1-amine (CID 107360797) is 3-(3-chlorothiophen-2-yl)-N-propylcycloheptan-1-amine.
What is the SMILES notation for 3-(3-chlorothiophen-2-yl)-N-propylcycloheptan-1-amine?
The canonical SMILES for 3-(3-chlorothiophen-2-yl)-N-propylcycloheptan-1-amine is CCCNC1CCCCC(c2sccc2Cl)C1.
What is the InChIKey of 3-(3-chlorothiophen-2-yl)-N-propylcycloheptan-1-amine?
The InChIKey is WSVFFGJZZPXOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNS/c1-2-8-16-12-6-4-3-5-11(10-12)14-13(15)7-9-17-14/h7,9,11-12,16H,2-6,8,10H2,1H3.
What are the key properties of 3-(3-chlorothiophen-2-yl)-N-propylcycloheptan-1-amine?
3-(3-chlorothiophen-2-yl)-N-propylcycloheptan-1-amine has a molecular weight of 271.86 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorothiophen-2-yl)-N-propylcycloheptan-1-amine is sourced from PubChem (CID 107360797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).