4-chloro-N-cyclopentyl-3-(methylsulfinylmethyl)aniline

C13H18ClNOS — CID 86787784

IUPAC4-chloro-N-cyclopentyl-3-(methylsulfinylmethyl)aniline
SMILESCS(=O)Cc1cc(NC2CCCC2)ccc1Cl
InChIInChI=1S/C13H18ClNOS/c1-17(16)9-10-8-12(6-7-13(10)14)15-11-4-2-3-5-11/h6-8,11,15H,2-5,9H2,1H3
InChIKeyUATVWZMMYOVVFA-UHFFFAOYSA-N
MW271.81 g/mol
LogP3.57
Rot. Bonds4

About 4-chloro-N-cyclopentyl-3-(methylsulfinylmethyl)aniline

4-chloro-N-cyclopentyl-3-(methylsulfinylmethyl)aniline (PubChem CID 86787784) has the molecular formula C13H18ClNOS and a molecular weight of 271.81 g/mol. Its IUPAC name is 4-chloro-N-cyclopentyl-3-(methylsulfinylmethyl)aniline.

Molecular Properties

Compound Name4-chloro-N-cyclopentyl-3-(methylsulfinylmethyl)aniline
PubChem CID86787784
Molecular FormulaC13H18ClNOS
Molecular Weight271.81 g/mol
Exact Mass271.08
IUPAC Name4-chloro-N-cyclopentyl-3-(methylsulfinylmethyl)aniline
SMILESCS(=O)Cc1cc(NC2CCCC2)ccc1Cl
InChIInChI=1S/C13H18ClNOS/c1-17(16)9-10-8-12(6-7-13(10)14)15-11-4-2-3-5-11/h6-8,11,15H,2-5,9H2,1H3
InChIKeyUATVWZMMYOVVFA-UHFFFAOYSA-N
XLogP3.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.81
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-chloro-3-(methylsulfinylmethyl)phenyl]oxan-3-amine
CID 91660373
(2S,3R)-N-[4-chloro-3-[[(S)-methylsulfinyl]methyl]phenyl]-2-methyloxolan-3-amine
CID 129408185
N-[4-chloro-3-[[(S)-methylsulfinyl]methyl]phenyl]-2-cyclopentyloxyacetamide
CID 96551042
4-chloro-N-(1-cyclopropylpropan-2-yl)-3-(methylsulfinylmethyl)aniline
CID 91660835
3-amino-N-[4-chloro-3-(methylsulfinylmethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119790110
4-chloro-N-(3-methylbutyl)-3-[[(R)-methylsulfinyl]methyl]aniline
CID 99831751
4-chloro-N-cyclopentyl-3-fluoroaniline
CID 43721398
methyl 2-chloro-5-(cyclopentylamino)benzoate
CID 43672677
N-(3-chloro-4-methylphenyl)cyclododecanamine
CID 63418759
2-chloro-5-(cyclohexylamino)benzoic acid
CID 43736277
N-cyclohexyl-3-methylsulfinylaniline
CID 115744089
1-amino-N-[4-chloro-3-(methylsulfinylmethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119790098

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclopentyl-3-(methylsulfinylmethyl)aniline?
The IUPAC name of 4-chloro-N-cyclopentyl-3-(methylsulfinylmethyl)aniline (CID 86787784) is 4-chloro-N-cyclopentyl-3-(methylsulfinylmethyl)aniline.
What is the SMILES notation for 4-chloro-N-cyclopentyl-3-(methylsulfinylmethyl)aniline?
The canonical SMILES for 4-chloro-N-cyclopentyl-3-(methylsulfinylmethyl)aniline is CS(=O)Cc1cc(NC2CCCC2)ccc1Cl.
What is the InChIKey of 4-chloro-N-cyclopentyl-3-(methylsulfinylmethyl)aniline?
The InChIKey is UATVWZMMYOVVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNOS/c1-17(16)9-10-8-12(6-7-13(10)14)15-11-4-2-3-5-11/h6-8,11,15H,2-5,9H2,1H3.
What are the key properties of 4-chloro-N-cyclopentyl-3-(methylsulfinylmethyl)aniline?
4-chloro-N-cyclopentyl-3-(methylsulfinylmethyl)aniline has a molecular weight of 271.81 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclopentyl-3-(methylsulfinylmethyl)aniline is sourced from PubChem (CID 86787784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).