(3S,5S)-3,5-dimethyl-N-(4-sulfamoylphenyl)piperidine-1-carboxamide

C14H21N3O3S — CID 40794398

IUPAC(3S,5S)-3,5-dimethyl-N-(4-sulfamoylphenyl)piperidine-1-carboxamide
SMILESC[C@H]1C[C@H](C)CN(C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1
InChIInChI=1S/C14H21N3O3S/c1-10-7-11(2)9-17(8-10)14(18)16-12-3-5-13(6-4-12)21(15,19)20/h3-6,10-11H,7-9H2,1-2H3,(H,16,18)(H2,15,19,20)/t10-,11-/m0/s1
InChIKeyZTTFBYKCKJATHA-QWRGUYRKSA-N
MW311.41 g/mol
LogP1.84
Rot. Bonds2

About (3S,5S)-3,5-dimethyl-N-(4-sulfamoylphenyl)piperidine-1-carboxamide

(3S,5S)-3,5-dimethyl-N-(4-sulfamoylphenyl)piperidine-1-carboxamide (PubChem CID 40794398) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is (3S,5S)-3,5-dimethyl-N-(4-sulfamoylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S,5S)-3,5-dimethyl-N-(4-sulfamoylphenyl)piperidine-1-carboxamide
PubChem CID40794398
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name(3S,5S)-3,5-dimethyl-N-(4-sulfamoylphenyl)piperidine-1-carboxamide
SMILESC[C@H]1C[C@H](C)CN(C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1
InChIInChI=1S/C14H21N3O3S/c1-10-7-11(2)9-17(8-10)14(18)16-12-3-5-13(6-4-12)21(15,19)20/h3-6,10-11H,7-9H2,1-2H3,(H,16,18)(H2,15,19,20)/t10-,11-/m0/s1
InChIKeyZTTFBYKCKJATHA-QWRGUYRKSA-N
XLogP1.84
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-sulfamoylphenyl)azocane-1-carboxamide
CID 17414007
(4aS,8aS)-N-(4-sulfamoylphenyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxamide
CID 40874748
2-[4-[(3,5-dimethylpiperidine-1-carbonyl)amino]phenyl]acetic acid
CID 61191743
4-methyl-N-(4-sulfamoylphenyl)piperidine-1-carbothioamide
CID 3261166
(3S,5S)-N-(3,4-dichlorophenyl)-3,5-dimethylpiperidine-1-carboxamide
CID 840585
(3S,5R)-3,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
CID 51944394
1-[(3-fluoro-5-sulfamoylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102384
(3S,5R)-N-[3-[[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]amino]-4-methylphenyl]-3,5-dimethylpiperidine-1-carboxamide
CID 27806673
2-(3,5-dimethylpiperidin-1-ium-1-yl)-N-(4-sulfamoylphenyl)acetamide
CID 5084841
(3S)-3-methyl-N-(3-sulfamoylphenyl)piperidine-1-carboxamide
CID 38150508
4-(4-methylphenyl)-N-(4-sulfamoylphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 17416490
3-methyl-N-(3-sulfamoylphenyl)piperidine-1-carboxamide
CID 47185999

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-3,5-dimethyl-N-(4-sulfamoylphenyl)piperidine-1-carboxamide?
The IUPAC name of (3S,5S)-3,5-dimethyl-N-(4-sulfamoylphenyl)piperidine-1-carboxamide (CID 40794398) is (3S,5S)-3,5-dimethyl-N-(4-sulfamoylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for (3S,5S)-3,5-dimethyl-N-(4-sulfamoylphenyl)piperidine-1-carboxamide?
The canonical SMILES for (3S,5S)-3,5-dimethyl-N-(4-sulfamoylphenyl)piperidine-1-carboxamide is C[C@H]1C[C@H](C)CN(C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1.
What is the InChIKey of (3S,5S)-3,5-dimethyl-N-(4-sulfamoylphenyl)piperidine-1-carboxamide?
The InChIKey is ZTTFBYKCKJATHA-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-10-7-11(2)9-17(8-10)14(18)16-12-3-5-13(6-4-12)21(15,19)20/h3-6,10-11H,7-9H2,1-2H3,(H,16,18)(H2,15,19,20)/t10-,11-/m0/s1.
What are the key properties of (3S,5S)-3,5-dimethyl-N-(4-sulfamoylphenyl)piperidine-1-carboxamide?
(3S,5S)-3,5-dimethyl-N-(4-sulfamoylphenyl)piperidine-1-carboxamide has a molecular weight of 311.41 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-3,5-dimethyl-N-(4-sulfamoylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 40794398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).