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

C14H23N3O3S — CID 83108257

IUPAC3-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-hydroxybenzenesulfonamide
SMILESCN(C)C1(CNS(=O)(=O)c2ccc(O)c(N)c2)CCCC1
InChIInChI=1S/C14H23N3O3S/c1-17(2)14(7-3-4-8-14)10-16-21(19,20)11-5-6-13(18)12(15)9-11/h5-6,9,16,18H,3-4,7-8,10,15H2,1-2H3
InChIKeySYFUVQXKESGKLR-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.13
Rot. Bonds5

About 3-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-hydroxybenzenesulfonamide

3-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-hydroxybenzenesulfonamide (PubChem CID 83108257) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 3-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-hydroxybenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-hydroxybenzenesulfonamide
PubChem CID83108257
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name3-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-hydroxybenzenesulfonamide
SMILESCN(C)C1(CNS(=O)(=O)c2ccc(O)c(N)c2)CCCC1
InChIInChI=1S/C14H23N3O3S/c1-17(2)14(7-3-4-8-14)10-16-21(19,20)11-5-6-13(18)12(15)9-11/h5-6,9,16,18H,3-4,7-8,10,15H2,1-2H3
InChIKeySYFUVQXKESGKLR-UHFFFAOYSA-N
XLogP1.13
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4-amino-3-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]benzenesulfonamide
CID 83113474
N-[[1-(dimethylamino)cyclopentyl]methyl]-4-hydroxybenzenesulfonamide
CID 83121671
4-N-[[1-(dimethylamino)cyclopentyl]methyl]benzene-1,4-disulfonamide
CID 55663677
N-[[1-(dimethylamino)cyclobutyl]methyl]-3-hydroxybenzenesulfonamide
CID 105419464
3-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-4,5-dimethylbenzenesulfonamide
CID 105413651
3-amino-4-hydroxy-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide
CID 65115419
3-amino-N-ethyl-4-hydroxybenzenesulfonamide;hydrochloride
CID 53432788
2-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-methylbenzenesulfonamide
CID 83107893
2-amino-5-bromo-N-[[1-(dimethylamino)cyclopentyl]methyl]benzenesulfonamide
CID 83107309
2-amino-5-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]benzenesulfonamide
CID 83108494
3-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-methoxybenzenesulfonamide
CID 105420140
N-[[1-(dimethylamino)cyclopentyl]methyl]-4,4-dimethyl-2-oxo-1,3-dihydroquinoline-6-sulfonamide
CID 91958469

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-hydroxybenzenesulfonamide?
The IUPAC name of 3-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-hydroxybenzenesulfonamide (CID 83108257) is 3-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-hydroxybenzenesulfonamide.
What is the SMILES notation for 3-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-hydroxybenzenesulfonamide?
The canonical SMILES for 3-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-hydroxybenzenesulfonamide is CN(C)C1(CNS(=O)(=O)c2ccc(O)c(N)c2)CCCC1.
What is the InChIKey of 3-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-hydroxybenzenesulfonamide?
The InChIKey is SYFUVQXKESGKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-17(2)14(7-3-4-8-14)10-16-21(19,20)11-5-6-13(18)12(15)9-11/h5-6,9,16,18H,3-4,7-8,10,15H2,1-2H3.
What are the key properties of 3-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-hydroxybenzenesulfonamide?
3-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-hydroxybenzenesulfonamide has a molecular weight of 313.42 g/mol, XLogP of 1.13, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-hydroxybenzenesulfonamide is sourced from PubChem (CID 83108257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).