[1-(4-chloro-3-methylphenyl)sulfanylcyclopropyl]methanamine

C11H14ClNS — CID 117034858

IUPAC[1-(4-chloro-3-methylphenyl)sulfanylcyclopropyl]methanamine
SMILESCc1cc(SC2(CN)CC2)ccc1Cl
InChIInChI=1S/C11H14ClNS/c1-8-6-9(2-3-10(8)12)14-11(7-13)4-5-11/h2-3,6H,4-5,7,13H2,1H3
InChIKeyJBABSEPHVMJTMZ-UHFFFAOYSA-N
MW227.76 g/mol
LogP3.23
Rot. Bonds3

About [1-(4-chloro-3-methylphenyl)sulfanylcyclopropyl]methanamine

[1-(4-chloro-3-methylphenyl)sulfanylcyclopropyl]methanamine (PubChem CID 117034858) has the molecular formula C11H14ClNS and a molecular weight of 227.76 g/mol. Its IUPAC name is [1-(4-chloro-3-methylphenyl)sulfanylcyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(4-chloro-3-methylphenyl)sulfanylcyclopropyl]methanamine
PubChem CID117034858
Molecular FormulaC11H14ClNS
Molecular Weight227.76 g/mol
Exact Mass227.05
IUPAC Name[1-(4-chloro-3-methylphenyl)sulfanylcyclopropyl]methanamine
SMILESCc1cc(SC2(CN)CC2)ccc1Cl
InChIInChI=1S/C11H14ClNS/c1-8-6-9(2-3-10(8)12)14-11(7-13)4-5-11/h2-3,6H,4-5,7,13H2,1H3
InChIKeyJBABSEPHVMJTMZ-UHFFFAOYSA-N
XLogP3.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.76
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [1-(4-chloro-3-methylphenyl)sulfanylcyclopropyl]methanamine 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-fluoro-3-methylphenyl)sulfanylcyclobutyl]methanamine
CID 117034948
[3-(4-chloro-3-methylphenyl)sulfanyloxetan-3-yl]methanol
CID 117035262
[1-(3,4-dimethoxyphenyl)sulfanylcyclobutyl]methanamine
CID 117034954
1-chloro-4-hydroxysulfanyl-2-methylbenzene
CID 67557252
[1-(2-chlorophenyl)sulfanyl-4-methylcyclohexyl]methanamine
CID 66154856
[1-(4-chloro-3-methylphenoxy)cyclopropyl]methanamine
CID 126973987
[1-(4-chlorophenyl)sulfanyl-3,3-dimethylcyclobutyl]methanamine
CID 66143561
1-[1-(4-fluoro-3-methylphenyl)sulfanylcyclopropyl]-N-methylmethanamine
CID 117034879
[5-(3-methylphenyl)sulfanylspiro[2.3]hexan-5-yl]methanamine
CID 66110003
1-(3,4-dichlorophenyl)sulfanylcyclopropan-1-amine
CID 117035851
N-(4-chloro-3-methylphenyl)sulfanylmethanamine
CID 117033794
[1-(4-fluorophenyl)sulfanylcyclobutyl]methanamine
CID 66071975

Frequently Asked Questions

What is the IUPAC name of [1-(4-chloro-3-methylphenyl)sulfanylcyclopropyl]methanamine?
The IUPAC name of [1-(4-chloro-3-methylphenyl)sulfanylcyclopropyl]methanamine (CID 117034858) is [1-(4-chloro-3-methylphenyl)sulfanylcyclopropyl]methanamine.
What is the SMILES notation for [1-(4-chloro-3-methylphenyl)sulfanylcyclopropyl]methanamine?
The canonical SMILES for [1-(4-chloro-3-methylphenyl)sulfanylcyclopropyl]methanamine is Cc1cc(SC2(CN)CC2)ccc1Cl.
What is the InChIKey of [1-(4-chloro-3-methylphenyl)sulfanylcyclopropyl]methanamine?
The InChIKey is JBABSEPHVMJTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNS/c1-8-6-9(2-3-10(8)12)14-11(7-13)4-5-11/h2-3,6H,4-5,7,13H2,1H3.
What are the key properties of [1-(4-chloro-3-methylphenyl)sulfanylcyclopropyl]methanamine?
[1-(4-chloro-3-methylphenyl)sulfanylcyclopropyl]methanamine has a molecular weight of 227.76 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chloro-3-methylphenyl)sulfanylcyclopropyl]methanamine is sourced from PubChem (CID 117034858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).