N-[2-[cyclopentyl(methyl)amino]ethyl]-2-hydroxybenzenesulfonamide

C14H22N2O3S — CID 81245872

IUPACN-[2-[cyclopentyl(methyl)amino]ethyl]-2-hydroxybenzenesulfonamide
SMILESCN(CCNS(=O)(=O)c1ccccc1O)C1CCCC1
InChIInChI=1S/C14H22N2O3S/c1-16(12-6-2-3-7-12)11-10-15-20(18,19)14-9-5-4-8-13(14)17/h4-5,8-9,12,15,17H,2-3,6-7,10-11H2,1H3
InChIKeyYLJVKOVPNLTJRG-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.54
Rot. Bonds6

About N-[2-[cyclopentyl(methyl)amino]ethyl]-2-hydroxybenzenesulfonamide

N-[2-[cyclopentyl(methyl)amino]ethyl]-2-hydroxybenzenesulfonamide (PubChem CID 81245872) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-[2-[cyclopentyl(methyl)amino]ethyl]-2-hydroxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[cyclopentyl(methyl)amino]ethyl]-2-hydroxybenzenesulfonamide
PubChem CID81245872
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-[2-[cyclopentyl(methyl)amino]ethyl]-2-hydroxybenzenesulfonamide
SMILESCN(CCNS(=O)(=O)c1ccccc1O)C1CCCC1
InChIInChI=1S/C14H22N2O3S/c1-16(12-6-2-3-7-12)11-10-15-20(18,19)14-9-5-4-8-13(14)17/h4-5,8-9,12,15,17H,2-3,6-7,10-11H2,1H3
InChIKeyYLJVKOVPNLTJRG-UHFFFAOYSA-N
XLogP1.54
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]pyridine-3-sulfonamide
CID 63316665
4-[2-[cyclopentyl(methyl)amino]ethylsulfamoyl]-5-methylfuran-2-carboxylic acid
CID 167943892
N-[3-(dimethylamino)propyl]-2-hydroxybenzenesulfonamide
CID 81242201
2-bromo-N-[2-[cyclopentyl(methyl)amino]ethyl]-4-methylbenzenesulfonamide
CID 63317024
N-[2-[cyclopentyl(methylsulfonyl)amino]ethyl]-2-methylbenzenesulfonamide
CID 113065789
4-amino-2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]benzenesulfonamide
CID 63314929
4-(bromomethyl)-N-[2-[cyclopentyl(methyl)amino]ethyl]benzenesulfonamide
CID 65480044
2-(aminomethyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]pyridine-3-sulfonamide
CID 106594462
5-bromo-2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]pyridine-3-sulfonamide
CID 63318055
2-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]phenol
CID 63314661
N-[2-[cyclopentyl(methyl)amino]ethyl]ethanesulfonamide
CID 63373682
3-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-1-ethylpyrazole-4-sulfonamide
CID 63315016

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclopentyl(methyl)amino]ethyl]-2-hydroxybenzenesulfonamide?
The IUPAC name of N-[2-[cyclopentyl(methyl)amino]ethyl]-2-hydroxybenzenesulfonamide (CID 81245872) is N-[2-[cyclopentyl(methyl)amino]ethyl]-2-hydroxybenzenesulfonamide.
What is the SMILES notation for N-[2-[cyclopentyl(methyl)amino]ethyl]-2-hydroxybenzenesulfonamide?
The canonical SMILES for N-[2-[cyclopentyl(methyl)amino]ethyl]-2-hydroxybenzenesulfonamide is CN(CCNS(=O)(=O)c1ccccc1O)C1CCCC1.
What is the InChIKey of N-[2-[cyclopentyl(methyl)amino]ethyl]-2-hydroxybenzenesulfonamide?
The InChIKey is YLJVKOVPNLTJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-16(12-6-2-3-7-12)11-10-15-20(18,19)14-9-5-4-8-13(14)17/h4-5,8-9,12,15,17H,2-3,6-7,10-11H2,1H3.
What are the key properties of N-[2-[cyclopentyl(methyl)amino]ethyl]-2-hydroxybenzenesulfonamide?
N-[2-[cyclopentyl(methyl)amino]ethyl]-2-hydroxybenzenesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclopentyl(methyl)amino]ethyl]-2-hydroxybenzenesulfonamide is sourced from PubChem (CID 81245872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).