N-[[1-(dimethylamino)cyclopentyl]methyl]-4-hydroxybenzenesulfonamide

C14H22N2O3S — CID 83121671

IUPACN-[[1-(dimethylamino)cyclopentyl]methyl]-4-hydroxybenzenesulfonamide
SMILESCN(C)C1(CNS(=O)(=O)c2ccc(O)cc2)CCCC1
InChIInChI=1S/C14H22N2O3S/c1-16(2)14(9-3-4-10-14)11-15-20(18,19)13-7-5-12(17)6-8-13/h5-8,15,17H,3-4,9-11H2,1-2H3
InChIKeyZBVCYWJWRCUXNG-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.54
Rot. Bonds5

About N-[[1-(dimethylamino)cyclopentyl]methyl]-4-hydroxybenzenesulfonamide

N-[[1-(dimethylamino)cyclopentyl]methyl]-4-hydroxybenzenesulfonamide (PubChem CID 83121671) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclopentyl]methyl]-4-hydroxybenzenesulfonamide.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclopentyl]methyl]-4-hydroxybenzenesulfonamide
PubChem CID83121671
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-[[1-(dimethylamino)cyclopentyl]methyl]-4-hydroxybenzenesulfonamide
SMILESCN(C)C1(CNS(=O)(=O)c2ccc(O)cc2)CCCC1
InChIInChI=1S/C14H22N2O3S/c1-16(2)14(9-3-4-10-14)11-15-20(18,19)13-7-5-12(17)6-8-13/h5-8,15,17H,3-4,9-11H2,1-2H3
InChIKeyZBVCYWJWRCUXNG-UHFFFAOYSA-N
XLogP1.54
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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

4-N-[[1-(dimethylamino)cyclopentyl]methyl]benzene-1,4-disulfonamide
CID 55663677
3-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-hydroxybenzenesulfonamide
CID 83108257
N-[[1-(dimethylamino)cyclobutyl]methyl]-3-hydroxybenzenesulfonamide
CID 105419464
4-amino-3-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]benzenesulfonamide
CID 83113474
4-hydroxy-N-[(1-methylsulfanylcyclobutyl)methyl]benzenesulfonamide
CID 114116819
N-[[1-(dimethylamino)cyclobutyl]methyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 105419964
4-hydroxy-N-[(1-propylcyclopropyl)methyl]benzenesulfonamide
CID 114101242
4-hydroxy-N-[(2-methylthiolan-2-yl)methyl]benzenesulfonamide
CID 80742757
N-[[1-(dimethylamino)cyclopentyl]methyl]-4,4-dimethyl-2-oxo-1,3-dihydroquinoline-6-sulfonamide
CID 91958469
3-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-methoxybenzenesulfonamide
CID 105420140
4-hydroxy-N-(1-methylcyclopentyl)benzenesulfonamide
CID 64687056
N-ethyl-4-hydroxybenzenesulfonamide
CID 43135494

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclopentyl]methyl]-4-hydroxybenzenesulfonamide?
The IUPAC name of N-[[1-(dimethylamino)cyclopentyl]methyl]-4-hydroxybenzenesulfonamide (CID 83121671) is N-[[1-(dimethylamino)cyclopentyl]methyl]-4-hydroxybenzenesulfonamide.
What is the SMILES notation for N-[[1-(dimethylamino)cyclopentyl]methyl]-4-hydroxybenzenesulfonamide?
The canonical SMILES for N-[[1-(dimethylamino)cyclopentyl]methyl]-4-hydroxybenzenesulfonamide is CN(C)C1(CNS(=O)(=O)c2ccc(O)cc2)CCCC1.
What is the InChIKey of N-[[1-(dimethylamino)cyclopentyl]methyl]-4-hydroxybenzenesulfonamide?
The InChIKey is ZBVCYWJWRCUXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-16(2)14(9-3-4-10-14)11-15-20(18,19)13-7-5-12(17)6-8-13/h5-8,15,17H,3-4,9-11H2,1-2H3.
What are the key properties of N-[[1-(dimethylamino)cyclopentyl]methyl]-4-hydroxybenzenesulfonamide?
N-[[1-(dimethylamino)cyclopentyl]methyl]-4-hydroxybenzenesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclopentyl]methyl]-4-hydroxybenzenesulfonamide is sourced from PubChem (CID 83121671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).