2-methyl-4-[(3R)-3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide

C14H21N3O3S — CID 124575570

IUPAC2-methyl-4-[(3R)-3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide
SMILESCN[C@@H]1CCCN(C(=O)c2ccc(S(N)(=O)=O)c(C)c2)C1
InChIInChI=1S/C14H21N3O3S/c1-10-8-11(5-6-13(10)21(15,19)20)14(18)17-7-3-4-12(9-17)16-2/h5-6,8,12,16H,3-4,7,9H2,1-2H3,(H2,15,19,20)/t12-/m1/s1
InChIKeyBBFULOIQWWALJB-GFCCVEGCSA-N
MW311.41 g/mol
LogP0.47
Rot. Bonds3

About 2-methyl-4-[(3R)-3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide

2-methyl-4-[(3R)-3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide (PubChem CID 124575570) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 2-methyl-4-[(3R)-3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-4-[(3R)-3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide
PubChem CID124575570
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name2-methyl-4-[(3R)-3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide
SMILESCN[C@@H]1CCCN(C(=O)c2ccc(S(N)(=O)=O)c(C)c2)C1
InChIInChI=1S/C14H21N3O3S/c1-10-8-11(5-6-13(10)21(15,19)20)14(18)17-7-3-4-12(9-17)16-2/h5-6,8,12,16H,3-4,7,9H2,1-2H3,(H2,15,19,20)/t12-/m1/s1
InChIKeyBBFULOIQWWALJB-GFCCVEGCSA-N
XLogP0.47
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-[3-(methylamino)piperidine-1-carbonyl]furan-3-sulfonamide
CID 119493911
2-fluoro-N-methyl-5-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide
CID 154750779
[(3S)-3-(methylamino)piperidin-1-yl]-(3-methylphenyl)methanone
CID 94475796
1-tert-butyl-3-[2-methyl-5-[3-(methylamino)piperidine-1-carbonyl]phenyl]urea;hydrochloride
CID 119490606
2-methoxy-N-methyl-5-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride
CID 119491799
(4-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535610
(2,4-dimethylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535810
(4-chloro-3-methylphenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 112701154
2-fluoro-4-[(3S)-3-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide
CID 124594714
2-fluoro-4-[3-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide
CID 119399044
(4-fluorophenyl)-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 172646152
4-bromo-3-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide
CID 126768787

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(3R)-3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide?
The IUPAC name of 2-methyl-4-[(3R)-3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide (CID 124575570) is 2-methyl-4-[(3R)-3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for 2-methyl-4-[(3R)-3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for 2-methyl-4-[(3R)-3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide is CN[C@@H]1CCCN(C(=O)c2ccc(S(N)(=O)=O)c(C)c2)C1.
What is the InChIKey of 2-methyl-4-[(3R)-3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide?
The InChIKey is BBFULOIQWWALJB-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-10-8-11(5-6-13(10)21(15,19)20)14(18)17-7-3-4-12(9-17)16-2/h5-6,8,12,16H,3-4,7,9H2,1-2H3,(H2,15,19,20)/t12-/m1/s1.
What are the key properties of 2-methyl-4-[(3R)-3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide?
2-methyl-4-[(3R)-3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide has a molecular weight of 311.41 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(3R)-3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 124575570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).