N-methyl-N-(3-piperidin-4-ylphenyl)methanesulfonamide

C13H20N2O2S — CID 117424883

IUPACN-methyl-N-(3-piperidin-4-ylphenyl)methanesulfonamide
SMILESCN(c1cccc(C2CCNCC2)c1)S(C)(=O)=O
InChIInChI=1S/C13H20N2O2S/c1-15(18(2,16)17)13-5-3-4-12(10-13)11-6-8-14-9-7-11/h3-5,10-11,14H,6-9H2,1-2H3
InChIKeyHIQMXEPOMXRSPS-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.55
Rot. Bonds3

About N-methyl-N-(3-piperidin-4-ylphenyl)methanesulfonamide

N-methyl-N-(3-piperidin-4-ylphenyl)methanesulfonamide (PubChem CID 117424883) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is N-methyl-N-(3-piperidin-4-ylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-(3-piperidin-4-ylphenyl)methanesulfonamide
PubChem CID117424883
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC NameN-methyl-N-(3-piperidin-4-ylphenyl)methanesulfonamide
SMILESCN(c1cccc(C2CCNCC2)c1)S(C)(=O)=O
InChIInChI=1S/C13H20N2O2S/c1-15(18(2,16)17)13-5-3-4-12(10-13)11-6-8-14-9-7-11/h3-5,10-11,14H,6-9H2,1-2H3
InChIKeyHIQMXEPOMXRSPS-UHFFFAOYSA-N
XLogP1.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-N-(3-piperidin-4-ylphenyl)methanesulfonamide 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-methyl-N-methylsulfanyl-3-piperidin-4-ylaniline
CID 155107747
4-(3-piperidin-4-ylphenyl)piperidine
CID 91123464
4-[3-(4,4-dimethylcyclohexyl)phenyl]piperidine
CID 117431735
N-cyclopropyl-N-methyl-3-piperidin-4-ylbenzamide
CID 70265389
4-(3-nitrosophenyl)piperidine
CID 142849133
4-(3-bromophenyl)piperidine;hydrochloride
CID 46735221
4-(3-phenylphenyl)piperidine
CID 54258001
3-(3-piperidin-4-ylphenyl)butanal
CID 117334938
methanamine;4-phenylpiperidine
CID 143444696
N-methyl-N-[3-(4-propan-2-ylpiperidin-1-yl)phenyl]methanesulfonamide
CID 164556889
N,N-dimethyl-4-piperidin-4-ylaniline;dihydrochloride
CID 19390920
3-(azepan-4-yl)benzonitrile
CID 141182585

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-piperidin-4-ylphenyl)methanesulfonamide?
The IUPAC name of N-methyl-N-(3-piperidin-4-ylphenyl)methanesulfonamide (CID 117424883) is N-methyl-N-(3-piperidin-4-ylphenyl)methanesulfonamide.
What is the SMILES notation for N-methyl-N-(3-piperidin-4-ylphenyl)methanesulfonamide?
The canonical SMILES for N-methyl-N-(3-piperidin-4-ylphenyl)methanesulfonamide is CN(c1cccc(C2CCNCC2)c1)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-(3-piperidin-4-ylphenyl)methanesulfonamide?
The InChIKey is HIQMXEPOMXRSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-15(18(2,16)17)13-5-3-4-12(10-13)11-6-8-14-9-7-11/h3-5,10-11,14H,6-9H2,1-2H3.
What are the key properties of N-methyl-N-(3-piperidin-4-ylphenyl)methanesulfonamide?
N-methyl-N-(3-piperidin-4-ylphenyl)methanesulfonamide has a molecular weight of 268.38 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-piperidin-4-ylphenyl)methanesulfonamide is sourced from PubChem (CID 117424883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).