4-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]benzenesulfonamide

C15H24N2O2S — CID 47206414

IUPAC4-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCN2CCCC(C)C2)cc1
InChIInChI=1S/C15H24N2O2S/c1-13-5-7-15(8-6-13)20(18,19)16-9-11-17-10-3-4-14(2)12-17/h5-8,14,16H,3-4,9-12H2,1-2H3
InChIKeyKLBXRYRWHIJKIL-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.01
Rot. Bonds5

About 4-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]benzenesulfonamide

4-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]benzenesulfonamide (PubChem CID 47206414) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 4-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]benzenesulfonamide
PubChem CID47206414
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name4-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCN2CCCC(C)C2)cc1
InChIInChI=1S/C15H24N2O2S/c1-13-5-7-15(8-6-13)20(18,19)16-9-11-17-10-3-4-14(2)12-17/h5-8,14,16H,3-4,9-12H2,1-2H3
InChIKeyKLBXRYRWHIJKIL-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzenesulfonamide
CID 94061336
3,4-dimethyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]benzenesulfonamide
CID 94081691
2,5-dimethyl-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]benzenesulfonamide
CID 94061337
1-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]pyrazole-4-sulfonamide
CID 94081659
N-[2-(3-methylpiperidin-1-yl)ethyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 55723188
4-chloro-N-[2-(3-hydroxypiperidin-1-yl)ethyl]benzenesulfonamide
CID 57202265
1-(4-methylphenyl)sulfonyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]piperidine-4-carboxamide
CID 100650018
3-methyl-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 100721189
4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[3-(3-methylpiperidin-1-yl)propyl]benzenesulfonamide
CID 55895359
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-methylbenzenesulfonamide
CID 58858762
2-chloro-4-cyano-N-[2-(3-methylpiperidin-1-yl)ethyl]benzenesulfonamide
CID 136521741
4-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide
CID 8824091

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]benzenesulfonamide (CID 47206414) is 4-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCCN2CCCC(C)C2)cc1.
What is the InChIKey of 4-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]benzenesulfonamide?
The InChIKey is KLBXRYRWHIJKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-13-5-7-15(8-6-13)20(18,19)16-9-11-17-10-3-4-14(2)12-17/h5-8,14,16H,3-4,9-12H2,1-2H3.
What are the key properties of 4-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]benzenesulfonamide?
4-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]benzenesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 47206414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).