4-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzenesulfonamide

C16H26N2O2S — CID 94061336

IUPAC4-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCCN2CCC[C@@H](C)C2)cc1
InChIInChI=1S/C16H26N2O2S/c1-14-6-8-16(9-7-14)21(19,20)17-10-4-12-18-11-3-5-15(2)13-18/h6-9,15,17H,3-5,10-13H2,1-2H3/t15-/m1/s1
InChIKeyVABUYVJEGUMGJL-OAHLLOKOSA-N
MW310.46 g/mol
LogP2.40
Rot. Bonds6

About 4-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzenesulfonamide

4-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzenesulfonamide (PubChem CID 94061336) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 4-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzenesulfonamide
PubChem CID94061336
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name4-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCCN2CCC[C@@H](C)C2)cc1
InChIInChI=1S/C16H26N2O2S/c1-14-6-8-16(9-7-14)21(19,20)17-10-4-12-18-11-3-5-15(2)13-18/h6-9,15,17H,3-5,10-13H2,1-2H3/t15-/m1/s1
InChIKeyVABUYVJEGUMGJL-OAHLLOKOSA-N
XLogP2.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]benzenesulfonamide
CID 47206414
2,5-dimethyl-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]benzenesulfonamide
CID 94061337
3,4-dimethyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]benzenesulfonamide
CID 94081691
1-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]pyrazole-4-sulfonamide
CID 94081659
3-methyl-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 100721189
4-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide
CID 8824091
4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[3-(3-methylpiperidin-1-yl)propyl]benzenesulfonamide
CID 55895359
1-(4-methylphenyl)sulfonyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]piperidine-4-carboxamide
CID 100650018
4-methoxy-2,6-dimethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzenesulfonamide
CID 94797694
2,5-dichloro-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]benzenesulfonamide
CID 95397422
N-[3-(3-methylpiperidin-1-yl)propyl]-3-(trifluoromethoxy)benzenesulfonamide
CID 47034075
4-(4-methylphenyl)-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzenesulfonamide
CID 118462234

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzenesulfonamide (CID 94061336) is 4-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCCCN2CCC[C@@H](C)C2)cc1.
What is the InChIKey of 4-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzenesulfonamide?
The InChIKey is VABUYVJEGUMGJL-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-14-6-8-16(9-7-14)21(19,20)17-10-4-12-18-11-3-5-15(2)13-18/h6-9,15,17H,3-5,10-13H2,1-2H3/t15-/m1/s1.
What are the key properties of 4-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzenesulfonamide?
4-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzenesulfonamide has a molecular weight of 310.46 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzenesulfonamide is sourced from PubChem (CID 94061336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).