N,N-dimethyl-3-[(2S)-2-methylpiperidine-1-carbonyl]benzenesulfonamide

C15H22N2O3S — CID 8502446

IUPACN,N-dimethyl-3-[(2S)-2-methylpiperidine-1-carbonyl]benzenesulfonamide
SMILESC[C@H]1CCCCN1C(=O)c1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C15H22N2O3S/c1-12-7-4-5-10-17(12)15(18)13-8-6-9-14(11-13)21(19,20)16(2)3/h6,8-9,11-12H,4-5,7,10H2,1-3H3/t12-/m0/s1
InChIKeyCAQDUFAPJVSTJV-LBPRGKRZSA-N
MW310.42 g/mol
LogP1.95
Rot. Bonds3

About N,N-dimethyl-3-[(2S)-2-methylpiperidine-1-carbonyl]benzenesulfonamide

N,N-dimethyl-3-[(2S)-2-methylpiperidine-1-carbonyl]benzenesulfonamide (PubChem CID 8502446) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N,N-dimethyl-3-[(2S)-2-methylpiperidine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[(2S)-2-methylpiperidine-1-carbonyl]benzenesulfonamide
PubChem CID8502446
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN,N-dimethyl-3-[(2S)-2-methylpiperidine-1-carbonyl]benzenesulfonamide
SMILESC[C@H]1CCCCN1C(=O)c1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C15H22N2O3S/c1-12-7-4-5-10-17(12)15(18)13-8-6-9-14(11-13)21(19,20)16(2)3/h6,8-9,11-12H,4-5,7,10H2,1-3H3/t12-/m0/s1
InChIKeyCAQDUFAPJVSTJV-LBPRGKRZSA-N
XLogP1.95
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-2-methylpiperidin-1-yl]-(3-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 8502448
N,N-dimethyl-3-(3-methylmorpholine-4-carbonyl)benzenesulfonamide
CID 110354676
N-ethyl-3-[(2S)-2-methylpiperidine-1-carbonyl]benzenesulfonamide
CID 93232744
[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-(2-methylpiperidin-1-yl)methanone
CID 51145477
N-cyclopropyl-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 154839161
(2R)-1-[3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]piperidine-2-carboxylic acid
CID 40809123
(3-bromophenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 40543984
3-[(2S)-2-methylpiperidine-1-carbonyl]benzonitrile
CID 2553523
(2R)-1-[3-(2-methylpiperidin-1-yl)sulfonylbenzoyl]pyrrolidine-2-carboxylic acid
CID 119371631
N-methyl-3-(2-methylpyrrolidine-1-carbonyl)-N-(pyrazin-2-ylmethyl)benzenesulfonamide
CID 74232256
(3-aminophenyl)-(2-methylpiperidin-1-yl)methanone;hydrochloride
CID 119676366
[(2R)-2-methylpiperidin-1-yl]-(3-nitrophenyl)methanone
CID 40541675

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[(2S)-2-methylpiperidine-1-carbonyl]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-3-[(2S)-2-methylpiperidine-1-carbonyl]benzenesulfonamide (CID 8502446) is N,N-dimethyl-3-[(2S)-2-methylpiperidine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-3-[(2S)-2-methylpiperidine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-3-[(2S)-2-methylpiperidine-1-carbonyl]benzenesulfonamide is C[C@H]1CCCCN1C(=O)c1cccc(S(=O)(=O)N(C)C)c1.
What is the InChIKey of N,N-dimethyl-3-[(2S)-2-methylpiperidine-1-carbonyl]benzenesulfonamide?
The InChIKey is CAQDUFAPJVSTJV-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-12-7-4-5-10-17(12)15(18)13-8-6-9-14(11-13)21(19,20)16(2)3/h6,8-9,11-12H,4-5,7,10H2,1-3H3/t12-/m0/s1.
What are the key properties of N,N-dimethyl-3-[(2S)-2-methylpiperidine-1-carbonyl]benzenesulfonamide?
N,N-dimethyl-3-[(2S)-2-methylpiperidine-1-carbonyl]benzenesulfonamide has a molecular weight of 310.42 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[(2S)-2-methylpiperidine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 8502446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).