N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzenesulfonamide

C15H24N2O2S — CID 106630983

IUPACN-(piperidin-3-ylmethyl)-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)N(CC1CCCNC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H24N2O2S/c1-13(2)17(12-14-7-6-10-16-11-14)20(18,19)15-8-4-3-5-9-15/h3-5,8-9,13-14,16H,6-7,10-12H2,1-2H3
InChIKeyDUSXZTWDJSRDNQ-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.09
Rot. Bonds5

About N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzenesulfonamide

N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzenesulfonamide (PubChem CID 106630983) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(piperidin-3-ylmethyl)-N-propan-2-ylbenzenesulfonamide
PubChem CID106630983
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC NameN-(piperidin-3-ylmethyl)-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)N(CC1CCCNC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H24N2O2S/c1-13(2)17(12-14-7-6-10-16-11-14)20(18,19)15-8-4-3-5-9-15/h3-5,8-9,13-14,16H,6-7,10-12H2,1-2H3
InChIKeyDUSXZTWDJSRDNQ-UHFFFAOYSA-N
XLogP2.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzenesulfonamide 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

2-fluoro-N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzenesulfonamide
CID 106630902
2-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyrazole-3-sulfonamide
CID 106630912
N-(piperidin-3-ylmethyl)-N-propan-2-ylpropane-2-sulfonamide
CID 106630952
2,5-dimethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-3-sulfonamide
CID 106630934
2-methyl-1-phenyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine
CID 106623958
1-cyclohexyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylmethanesulfonamide
CID 106630965
1-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylimidazole-4-sulfonamide
CID 106630977
5-bromo-2-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-3-sulfonamide
CID 106630942
5-chloro-4-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-2-sulfonamide
CID 106630961
4-bromo-N-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide
CID 106630836
4-bromo-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzenesulfonamide
CID 79701262
2-[benzenesulfonyl(methyl)amino]-N-(piperidin-3-ylmethyl)acetamide
CID 119459953

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzenesulfonamide (CID 106630983) is N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzenesulfonamide is CC(C)N(CC1CCCNC1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzenesulfonamide?
The InChIKey is DUSXZTWDJSRDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-13(2)17(12-14-7-6-10-16-11-14)20(18,19)15-8-4-3-5-9-15/h3-5,8-9,13-14,16H,6-7,10-12H2,1-2H3.
What are the key properties of N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzenesulfonamide?
N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzenesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 106630983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).