3,4-dimethyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]benzenesulfonamide

C16H26N2O2S — CID 94081691

IUPAC3,4-dimethyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCN2CCC[C@H](C)C2)cc1C
InChIInChI=1S/C16H26N2O2S/c1-13-5-4-9-18(12-13)10-8-17-21(19,20)16-7-6-14(2)15(3)11-16/h6-7,11,13,17H,4-5,8-10,12H2,1-3H3/t13-/m0/s1
InChIKeyYUIQAHYRLMEHMZ-ZDUSSCGKSA-N
MW310.46 g/mol
LogP2.31
Rot. Bonds5

About 3,4-dimethyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]benzenesulfonamide

3,4-dimethyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]benzenesulfonamide (PubChem CID 94081691) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 3,4-dimethyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]benzenesulfonamide
PubChem CID94081691
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name3,4-dimethyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCN2CCC[C@H](C)C2)cc1C
InChIInChI=1S/C16H26N2O2S/c1-13-5-4-9-18(12-13)10-8-17-21(19,20)16-7-6-14(2)15(3)11-16/h6-7,11,13,17H,4-5,8-10,12H2,1-3H3/t13-/m0/s1
InChIKeyYUIQAHYRLMEHMZ-ZDUSSCGKSA-N
XLogP2.31
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]benzenesulfonamide
CID 47206414
4-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzenesulfonamide
CID 94061336
2,5-dimethyl-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]benzenesulfonamide
CID 94061337
3-methyl-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 100721189
1-(3,4-dimethylphenyl)sulfonyl-N-[3-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide
CID 55717991
1-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]pyrazole-4-sulfonamide
CID 94081659
4-methoxy-2,6-dimethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzenesulfonamide
CID 94797694
N-[3-(3-methylpiperidin-1-yl)propyl]-3-(trifluoromethoxy)benzenesulfonamide
CID 47034075
N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-3,4-dimethylbenzenesulfonamide
CID 30170531
3,4-dimethyl-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide
CID 133264409
3,4-dimethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzamide
CID 94119693
5-(cyclopropylsulfamoyl)-2-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzamide
CID 51948398

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]benzenesulfonamide?
The IUPAC name of 3,4-dimethyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]benzenesulfonamide (CID 94081691) is 3,4-dimethyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dimethyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 3,4-dimethyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCCN2CCC[C@H](C)C2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]benzenesulfonamide?
The InChIKey is YUIQAHYRLMEHMZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-13-5-4-9-18(12-13)10-8-17-21(19,20)16-7-6-14(2)15(3)11-16/h6-7,11,13,17H,4-5,8-10,12H2,1-3H3/t13-/m0/s1.
What are the key properties of 3,4-dimethyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]benzenesulfonamide?
3,4-dimethyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]benzenesulfonamide has a molecular weight of 310.46 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 94081691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).