2,5-dimethyl-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]benzenesulfonamide

C17H28N2O2S — CID 94061337

IUPAC2,5-dimethyl-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NCCCN2CCC[C@H](C)C2)c1
InChIInChI=1S/C17H28N2O2S/c1-14-7-8-16(3)17(12-14)22(20,21)18-9-5-11-19-10-4-6-15(2)13-19/h7-8,12,15,18H,4-6,9-11,13H2,1-3H3/t15-/m0/s1
InChIKeyFMVDMLWWVCBHEU-HNNXBMFYSA-N
MW324.49 g/mol
LogP2.70
Rot. Bonds6

About 2,5-dimethyl-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]benzenesulfonamide

2,5-dimethyl-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]benzenesulfonamide (PubChem CID 94061337) has the molecular formula C17H28N2O2S and a molecular weight of 324.49 g/mol. Its IUPAC name is 2,5-dimethyl-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]benzenesulfonamide
PubChem CID94061337
Molecular FormulaC17H28N2O2S
Molecular Weight324.49 g/mol
Exact Mass324.19
IUPAC Name2,5-dimethyl-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NCCCN2CCC[C@H](C)C2)c1
InChIInChI=1S/C17H28N2O2S/c1-14-7-8-16(3)17(12-14)22(20,21)18-9-5-11-19-10-4-6-15(2)13-19/h7-8,12,15,18H,4-6,9-11,13H2,1-3H3/t15-/m0/s1
InChIKeyFMVDMLWWVCBHEU-HNNXBMFYSA-N
XLogP2.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.49
LogP ≤ 52.70
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-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzenesulfonamide
CID 94061336
2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-[3-(3-methylpiperidin-1-yl)propyl]benzenesulfonamide
CID 20935012
2,5-dichloro-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]benzenesulfonamide
CID 95397422
4-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]benzenesulfonamide
CID 47206414
4-methoxy-2,6-dimethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzenesulfonamide
CID 94797694
3,4-dimethyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]benzenesulfonamide
CID 94081691
2,5-dimethyl-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]benzenesulfonamide
CID 132655966
2-fluoro-5-methyl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 47031499
1-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]pyrazole-4-sulfonamide
CID 94081659
N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2,4-dimethylbenzenesulfonamide
CID 51330970
2-bromo-4-methyl-N-(3-piperidin-1-ylpropyl)benzenesulfonamide
CID 60731580
1-(2,4-dimethylphenyl)-3-[3-(3-methylpiperidin-1-yl)propyl]thiourea
CID 133216801

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]benzenesulfonamide?
The IUPAC name of 2,5-dimethyl-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]benzenesulfonamide (CID 94061337) is 2,5-dimethyl-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]benzenesulfonamide?
The canonical SMILES for 2,5-dimethyl-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]benzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)NCCCN2CCC[C@H](C)C2)c1.
What is the InChIKey of 2,5-dimethyl-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]benzenesulfonamide?
The InChIKey is FMVDMLWWVCBHEU-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H28N2O2S/c1-14-7-8-16(3)17(12-14)22(20,21)18-9-5-11-19-10-4-6-15(2)13-19/h7-8,12,15,18H,4-6,9-11,13H2,1-3H3/t15-/m0/s1.
What are the key properties of 2,5-dimethyl-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]benzenesulfonamide?
2,5-dimethyl-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]benzenesulfonamide has a molecular weight of 324.49 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]benzenesulfonamide is sourced from PubChem (CID 94061337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).