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

C12H18N2O2S — CID 117389477

IUPACN-(4-piperidin-4-ylphenyl)methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C2CCNCC2)cc1
InChIInChI=1S/C12H18N2O2S/c1-17(15,16)14-12-4-2-10(3-5-12)11-6-8-13-9-7-11/h2-5,11,13-14H,6-9H2,1H3
InChIKeyIHUGMDMVSGFWEU-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.53
Rot. Bonds3

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

N-(4-piperidin-4-ylphenyl)methanesulfonamide (PubChem CID 117389477) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is N-(4-piperidin-4-ylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-piperidin-4-ylphenyl)methanesulfonamide
PubChem CID117389477
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC NameN-(4-piperidin-4-ylphenyl)methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C2CCNCC2)cc1
InChIInChI=1S/C12H18N2O2S/c1-17(15,16)14-12-4-2-10(3-5-12)11-6-8-13-9-7-11/h2-5,11,13-14H,6-9H2,1H3
InChIKeyIHUGMDMVSGFWEU-UHFFFAOYSA-N
XLogP1.53
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Mls002638339
CID 224941
N-2-(4-(4-aminophenyl)phenyl)propyl 2-propanesulfonamide
CID 10520589
N-{4-[4-(4-Benzyl-piperidin-1-yl)-but-1-ynyl]-phenyl}-methanesulfonamide
CID 10715785
N-{4-[3-(4-Benzyl-piperidin-1-yl)-prop-1-ynyl]-phenyl}-methanesulfonamide
CID 10833784
N-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]methanesulfonamide
CID 11782125
3-(4-tert-butylphenyl)-N-[(1R)-1-[4-(methanesulfonamido)phenyl]ethyl]propanethioamide
CID 11855311
N-[3-[(1R,5S)-6-ethyl-3-hexyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide
CID 57398433
2-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-N-(piperidin-4-ylmethyl)cyclopropan-1-amine
CID 132240607
4-((1-Pyrrolidinylsulfonyl)methyl)benzenamine
CID 11184058
1-Methanesulfonyl-piperidine-4-carboxylic acid (4-isopropyl-phenyl)-amide
CID 649629
[(Dimethylamino)sulfonyl](4-butylphenyl)amine
CID 2162823
N'-(4-isopropyl-3-methylphenyl)-N,N-dimethylsulfamide
CID 3763288

Frequently Asked Questions

What is the IUPAC name of N-(4-piperidin-4-ylphenyl)methanesulfonamide?
The IUPAC name of N-(4-piperidin-4-ylphenyl)methanesulfonamide (CID 117389477) is N-(4-piperidin-4-ylphenyl)methanesulfonamide.
What is the SMILES notation for N-(4-piperidin-4-ylphenyl)methanesulfonamide?
The canonical SMILES for N-(4-piperidin-4-ylphenyl)methanesulfonamide is CS(=O)(=O)Nc1ccc(C2CCNCC2)cc1.
What is the InChIKey of N-(4-piperidin-4-ylphenyl)methanesulfonamide?
The InChIKey is IHUGMDMVSGFWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-17(15,16)14-12-4-2-10(3-5-12)11-6-8-13-9-7-11/h2-5,11,13-14H,6-9H2,1H3.
What are the key properties of N-(4-piperidin-4-ylphenyl)methanesulfonamide?
N-(4-piperidin-4-ylphenyl)methanesulfonamide has a molecular weight of 254.35 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-piperidin-4-ylphenyl)methanesulfonamide is sourced from PubChem (CID 117389477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).