N-(1-methylpiperidin-4-yl)-4-propan-2-yloxybenzenesulfonamide

C15H24N2O3S — CID 110736348

IUPACN-(1-methylpiperidin-4-yl)-4-propan-2-yloxybenzenesulfonamide
SMILESCC(C)Oc1ccc(S(=O)(=O)NC2CCN(C)CC2)cc1
InChIInChI=1S/C15H24N2O3S/c1-12(2)20-14-4-6-15(7-5-14)21(18,19)16-13-8-10-17(3)11-9-13/h4-7,12-13,16H,8-11H2,1-3H3
InChIKeyDBZHHRDUPFPAQK-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.85
Rot. Bonds5

About N-(1-methylpiperidin-4-yl)-4-propan-2-yloxybenzenesulfonamide

N-(1-methylpiperidin-4-yl)-4-propan-2-yloxybenzenesulfonamide (PubChem CID 110736348) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-(1-methylpiperidin-4-yl)-4-propan-2-yloxybenzenesulfonamide.

Molecular Properties

Compound NameN-(1-methylpiperidin-4-yl)-4-propan-2-yloxybenzenesulfonamide
PubChem CID110736348
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-(1-methylpiperidin-4-yl)-4-propan-2-yloxybenzenesulfonamide
SMILESCC(C)Oc1ccc(S(=O)(=O)NC2CCN(C)CC2)cc1
InChIInChI=1S/C15H24N2O3S/c1-12(2)20-14-4-6-15(7-5-14)21(18,19)16-13-8-10-17(3)11-9-13/h4-7,12-13,16H,8-11H2,1-3H3
InChIKeyDBZHHRDUPFPAQK-UHFFFAOYSA-N
XLogP1.85
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-methylpiperidin-4-yl)-4-propan-2-yloxybenzenesulfonamide 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-methylpiperidin-4-yl)methyl]-4-propan-2-yloxybenzenesulfonamide
CID 110736321
4-(2,2-difluoroethoxy)-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 75477000
N-(1-methylpiperidin-4-yl)-4-nitrobenzenesulfonamide
CID 22772515
4-(1-hydroxyethyl)-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 61465004
4-[1-(methylamino)ethyl]-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 61465032
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-4-propan-2-yloxybenzenesulfonamide
CID 90634090
4-methoxy-N-[1-(2-phenoxypropanoyl)piperidin-4-yl]benzenesulfonamide
CID 50823767
4-[2-(methylamino)ethoxy]-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 106052280
4-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzenesulfonamide
CID 22772651
N-[1-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[d]pyrimidin-4-yl]piperidin-4-yl]-4-propan-2-yloxybenzenesulfonamide
CID 161420542
3-amino-4-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 43373442
4-ethoxy-N-(1-ethylpiperidin-4-yl)benzenesulfonamide
CID 22772564

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpiperidin-4-yl)-4-propan-2-yloxybenzenesulfonamide?
The IUPAC name of N-(1-methylpiperidin-4-yl)-4-propan-2-yloxybenzenesulfonamide (CID 110736348) is N-(1-methylpiperidin-4-yl)-4-propan-2-yloxybenzenesulfonamide.
What is the SMILES notation for N-(1-methylpiperidin-4-yl)-4-propan-2-yloxybenzenesulfonamide?
The canonical SMILES for N-(1-methylpiperidin-4-yl)-4-propan-2-yloxybenzenesulfonamide is CC(C)Oc1ccc(S(=O)(=O)NC2CCN(C)CC2)cc1.
What is the InChIKey of N-(1-methylpiperidin-4-yl)-4-propan-2-yloxybenzenesulfonamide?
The InChIKey is DBZHHRDUPFPAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-12(2)20-14-4-6-15(7-5-14)21(18,19)16-13-8-10-17(3)11-9-13/h4-7,12-13,16H,8-11H2,1-3H3.
What are the key properties of N-(1-methylpiperidin-4-yl)-4-propan-2-yloxybenzenesulfonamide?
N-(1-methylpiperidin-4-yl)-4-propan-2-yloxybenzenesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpiperidin-4-yl)-4-propan-2-yloxybenzenesulfonamide is sourced from PubChem (CID 110736348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).