4-[[2-(hydroxymethyl)cyclopentyl]amino]-N-methylbenzenesulfonamide

C13H20N2O3S — CID 106362103

IUPAC4-[[2-(hydroxymethyl)cyclopentyl]amino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NC2CCCC2CO)cc1
InChIInChI=1S/C13H20N2O3S/c1-14-19(17,18)12-7-5-11(6-8-12)15-13-4-2-3-10(13)9-16/h5-8,10,13-16H,2-4,9H2,1H3
InChIKeyINLSDFHVUDRHRG-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.17
Rot. Bonds5

About 4-[[2-(hydroxymethyl)cyclopentyl]amino]-N-methylbenzenesulfonamide

4-[[2-(hydroxymethyl)cyclopentyl]amino]-N-methylbenzenesulfonamide (PubChem CID 106362103) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 4-[[2-(hydroxymethyl)cyclopentyl]amino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-[[2-(hydroxymethyl)cyclopentyl]amino]-N-methylbenzenesulfonamide
PubChem CID106362103
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name4-[[2-(hydroxymethyl)cyclopentyl]amino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NC2CCCC2CO)cc1
InChIInChI=1S/C13H20N2O3S/c1-14-19(17,18)12-7-5-11(6-8-12)15-13-4-2-3-10(13)9-16/h5-8,10,13-16H,2-4,9H2,1H3
InChIKeyINLSDFHVUDRHRG-UHFFFAOYSA-N
XLogP1.17
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(hydroxymethyl)cyclopentyl]amino]benzenesulfonamide
CID 106362102
2-[[2-(hydroxymethyl)cyclopentyl]amino]-N-methylbenzenesulfonamide
CID 106362109
4-ethyl-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 103835956
1-[4-[[2-(hydroxymethyl)cyclohexyl]amino]phenyl]propan-1-one
CID 106362345
N-methyl-4-[(2-methylpiperidin-3-yl)amino]benzenesulfonamide
CID 114695687
N-[2-(aminomethyl)cyclopentyl]-4-(methylsulfamoyl)benzamide
CID 119601299
N-[2-(aminomethyl)cyclopentyl]-4-(methylsulfamoyl)benzamide;hydrochloride
CID 119601298
N'-[4-(cyclopropylsulfamoyl)phenyl]-N-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]oxamide
CID 97257734
[2-[3-(methylamino)-5-nitroanilino]cyclopentyl]methanol
CID 106368067
3-amino-5-[[2-(hydroxymethyl)cyclohexyl]amino]benzenesulfonamide
CID 106359193
N-[2-(aminomethyl)cyclopentyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 119604290
4-(2-chloroethyl)-N-[2-(hydroxymethyl)cyclohexyl]benzenesulfonamide
CID 103858722

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(hydroxymethyl)cyclopentyl]amino]-N-methylbenzenesulfonamide?
The IUPAC name of 4-[[2-(hydroxymethyl)cyclopentyl]amino]-N-methylbenzenesulfonamide (CID 106362103) is 4-[[2-(hydroxymethyl)cyclopentyl]amino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-[[2-(hydroxymethyl)cyclopentyl]amino]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-[[2-(hydroxymethyl)cyclopentyl]amino]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(NC2CCCC2CO)cc1.
What is the InChIKey of 4-[[2-(hydroxymethyl)cyclopentyl]amino]-N-methylbenzenesulfonamide?
The InChIKey is INLSDFHVUDRHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-14-19(17,18)12-7-5-11(6-8-12)15-13-4-2-3-10(13)9-16/h5-8,10,13-16H,2-4,9H2,1H3.
What are the key properties of 4-[[2-(hydroxymethyl)cyclopentyl]amino]-N-methylbenzenesulfonamide?
4-[[2-(hydroxymethyl)cyclopentyl]amino]-N-methylbenzenesulfonamide has a molecular weight of 284.38 g/mol, XLogP of 1.17, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(hydroxymethyl)cyclopentyl]amino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 106362103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).