N-[[1-(dimethylamino)cyclobutyl]methyl]-3-hydroxybenzenesulfonamide

C13H20N2O3S — CID 105419464

IUPACN-[[1-(dimethylamino)cyclobutyl]methyl]-3-hydroxybenzenesulfonamide
SMILESCN(C)C1(CNS(=O)(=O)c2cccc(O)c2)CCC1
InChIInChI=1S/C13H20N2O3S/c1-15(2)13(7-4-8-13)10-14-19(17,18)12-6-3-5-11(16)9-12/h3,5-6,9,14,16H,4,7-8,10H2,1-2H3
InChIKeyBRVLFWOZVITATA-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.15
Rot. Bonds5

About N-[[1-(dimethylamino)cyclobutyl]methyl]-3-hydroxybenzenesulfonamide

N-[[1-(dimethylamino)cyclobutyl]methyl]-3-hydroxybenzenesulfonamide (PubChem CID 105419464) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclobutyl]methyl]-3-hydroxybenzenesulfonamide.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclobutyl]methyl]-3-hydroxybenzenesulfonamide
PubChem CID105419464
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN-[[1-(dimethylamino)cyclobutyl]methyl]-3-hydroxybenzenesulfonamide
SMILESCN(C)C1(CNS(=O)(=O)c2cccc(O)c2)CCC1
InChIInChI=1S/C13H20N2O3S/c1-15(2)13(7-4-8-13)10-14-19(17,18)12-6-3-5-11(16)9-12/h3,5-6,9,14,16H,4,7-8,10H2,1-2H3
InChIKeyBRVLFWOZVITATA-UHFFFAOYSA-N
XLogP1.15
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[1-(dimethylamino)cyclobutyl]methyl]-3-hydroxybenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-(dimethylamino)cyclopentyl]methyl]-4-hydroxybenzenesulfonamide
CID 83121671
3-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-hydroxybenzenesulfonamide
CID 83108257
3-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-methoxybenzenesulfonamide
CID 105420140
N-[(2,2-dimethylcyclopropyl)methyl]-3-hydroxybenzenesulfonamide
CID 114108635
4-N-[[1-(dimethylamino)cyclopentyl]methyl]benzene-1,4-disulfonamide
CID 55663677
4-amino-3-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]benzenesulfonamide
CID 83113474
N-[[1-(dimethylamino)cyclobutyl]methyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 105419964
3-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]phenol
CID 28622087
3-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-4,5-dimethylbenzenesulfonamide
CID 105413651
N-(cyclobutylmethyl)-3-hydroxybenzenesulfonamide
CID 81259195
N-[[1-(dimethylamino)cyclopentyl]methyl]-4,4-dimethyl-2-oxo-1,3-dihydroquinoline-6-sulfonamide
CID 91958469
3-hydroxy-N-methylbenzenesulfonamide
CID 20621554

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclobutyl]methyl]-3-hydroxybenzenesulfonamide?
The IUPAC name of N-[[1-(dimethylamino)cyclobutyl]methyl]-3-hydroxybenzenesulfonamide (CID 105419464) is N-[[1-(dimethylamino)cyclobutyl]methyl]-3-hydroxybenzenesulfonamide.
What is the SMILES notation for N-[[1-(dimethylamino)cyclobutyl]methyl]-3-hydroxybenzenesulfonamide?
The canonical SMILES for N-[[1-(dimethylamino)cyclobutyl]methyl]-3-hydroxybenzenesulfonamide is CN(C)C1(CNS(=O)(=O)c2cccc(O)c2)CCC1.
What is the InChIKey of N-[[1-(dimethylamino)cyclobutyl]methyl]-3-hydroxybenzenesulfonamide?
The InChIKey is BRVLFWOZVITATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-15(2)13(7-4-8-13)10-14-19(17,18)12-6-3-5-11(16)9-12/h3,5-6,9,14,16H,4,7-8,10H2,1-2H3.
What are the key properties of N-[[1-(dimethylamino)cyclobutyl]methyl]-3-hydroxybenzenesulfonamide?
N-[[1-(dimethylamino)cyclobutyl]methyl]-3-hydroxybenzenesulfonamide has a molecular weight of 284.38 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclobutyl]methyl]-3-hydroxybenzenesulfonamide is sourced from PubChem (CID 105419464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).