5-chloro-N-(cyclopropylmethyl)-2-methylsulfanylaniline

C11H14ClNS — CID 130905382

IUPAC5-chloro-N-(cyclopropylmethyl)-2-methylsulfanylaniline
SMILESCSc1ccc(Cl)cc1NCC1CC1
InChIInChI=1S/C11H14ClNS/c1-14-11-5-4-9(12)6-10(11)13-7-8-2-3-8/h4-6,8,13H,2-3,7H2,1H3
InChIKeyOMVIPARJRNYGKG-UHFFFAOYSA-N
MW227.76 g/mol
LogP3.88
Rot. Bonds4

About 5-chloro-N-(cyclopropylmethyl)-2-methylsulfanylaniline

5-chloro-N-(cyclopropylmethyl)-2-methylsulfanylaniline (PubChem CID 130905382) has the molecular formula C11H14ClNS and a molecular weight of 227.76 g/mol. Its IUPAC name is 5-chloro-N-(cyclopropylmethyl)-2-methylsulfanylaniline.

Molecular Properties

Compound Name5-chloro-N-(cyclopropylmethyl)-2-methylsulfanylaniline
PubChem CID130905382
Molecular FormulaC11H14ClNS
Molecular Weight227.76 g/mol
Exact Mass227.05
IUPAC Name5-chloro-N-(cyclopropylmethyl)-2-methylsulfanylaniline
SMILESCSc1ccc(Cl)cc1NCC1CC1
InChIInChI=1S/C11H14ClNS/c1-14-11-5-4-9(12)6-10(11)13-7-8-2-3-8/h4-6,8,13H,2-3,7H2,1H3
InChIKeyOMVIPARJRNYGKG-UHFFFAOYSA-N
XLogP3.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.76
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-chloro-N-(cyclopropylmethyl)-2-methylsulfanylaniline 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

4-chloro-2-N-(cyclopropylmethyl)benzene-1,2-diamine
CID 115468475
N-(cyclopropylmethyl)-3-fluoro-4-methylsulfanylaniline
CID 130636979
5-chloro-N-methyl-2-methylsulfanylaniline
CID 82264896
5-chloro-2-fluoro-N-(oxan-4-ylmethyl)aniline
CID 62385301
N-[(3-aminocyclobutyl)methyl]-5-chloro-2-fluoroaniline
CID 115213838
4-chloro-2-[(4-methylcyclohexyl)methylamino]benzonitrile
CID 63511847
5-chloro-N-(cyclohexylmethyl)-2-methoxyaniline
CID 43079026
(5-chloro-2-methylsulfanylphenyl)hydrazine;hydrochloride
CID 69183681
2,4-dichloro-N-(cyclobutylmethyl)aniline
CID 65458024
4-chloro-2-fluoro-N-[(1-methylpiperidin-4-yl)methyl]aniline
CID 62658637
5-chloro-2-methylsulfanyl-N-(thiophen-2-ylmethyl)aniline
CID 115744120
N-(cyclopropylmethyl)-2,3,4-trifluoroaniline
CID 43560276

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(cyclopropylmethyl)-2-methylsulfanylaniline?
The IUPAC name of 5-chloro-N-(cyclopropylmethyl)-2-methylsulfanylaniline (CID 130905382) is 5-chloro-N-(cyclopropylmethyl)-2-methylsulfanylaniline.
What is the SMILES notation for 5-chloro-N-(cyclopropylmethyl)-2-methylsulfanylaniline?
The canonical SMILES for 5-chloro-N-(cyclopropylmethyl)-2-methylsulfanylaniline is CSc1ccc(Cl)cc1NCC1CC1.
What is the InChIKey of 5-chloro-N-(cyclopropylmethyl)-2-methylsulfanylaniline?
The InChIKey is OMVIPARJRNYGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNS/c1-14-11-5-4-9(12)6-10(11)13-7-8-2-3-8/h4-6,8,13H,2-3,7H2,1H3.
What are the key properties of 5-chloro-N-(cyclopropylmethyl)-2-methylsulfanylaniline?
5-chloro-N-(cyclopropylmethyl)-2-methylsulfanylaniline has a molecular weight of 227.76 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(cyclopropylmethyl)-2-methylsulfanylaniline is sourced from PubChem (CID 130905382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).