(3S)-1-[6-(dimethylamino)pyridine-3-carbonyl]-N-phenylpiperidine-3-sulfonamide

C19H24N4O3S — CID 97348370

IUPAC(3S)-1-[6-(dimethylamino)pyridine-3-carbonyl]-N-phenylpiperidine-3-sulfonamide
SMILESCN(C)c1ccc(C(=O)N2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)cn1
InChIInChI=1S/C19H24N4O3S/c1-22(2)18-11-10-15(13-20-18)19(24)23-12-6-9-17(14-23)27(25,26)21-16-7-4-3-5-8-16/h3-5,7-8,10-11,13,17,21H,6,9,12,14H2,1-2H3/t17-/m0/s1
InChIKeyKRHQJVASJYDJCR-KRWDZBQOSA-N
MW388.49 g/mol
LogP2.19
Rot. Bonds5

About (3S)-1-[6-(dimethylamino)pyridine-3-carbonyl]-N-phenylpiperidine-3-sulfonamide

(3S)-1-[6-(dimethylamino)pyridine-3-carbonyl]-N-phenylpiperidine-3-sulfonamide (PubChem CID 97348370) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is (3S)-1-[6-(dimethylamino)pyridine-3-carbonyl]-N-phenylpiperidine-3-sulfonamide.

Molecular Properties

Compound Name(3S)-1-[6-(dimethylamino)pyridine-3-carbonyl]-N-phenylpiperidine-3-sulfonamide
PubChem CID97348370
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC Name(3S)-1-[6-(dimethylamino)pyridine-3-carbonyl]-N-phenylpiperidine-3-sulfonamide
SMILESCN(C)c1ccc(C(=O)N2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)cn1
InChIInChI=1S/C19H24N4O3S/c1-22(2)18-11-10-15(13-20-18)19(24)23-12-6-9-17(14-23)27(25,26)21-16-7-4-3-5-8-16/h3-5,7-8,10-11,13,17,21H,6,9,12,14H2,1-2H3/t17-/m0/s1
InChIKeyKRHQJVASJYDJCR-KRWDZBQOSA-N
XLogP2.19
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-[6-(dimethylamino)pyridine-3-carbonyl]piperidine-3-carboxylic acid
CID 81120843
N-phenyl-1-(pyridine-2-carbonyl)piperidine-3-sulfonamide
CID 75476115
[6-(dimethylamino)-3-pyridinyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261774
(3S)-1-(imidazo[1,5-a]pyridine-7-carbonyl)-N-phenylpiperidine-3-sulfonamide
CID 97348345
1-[6-(dimethylamino)pyridine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 63007175
[6-(dimethylamino)-3-pyridinyl]-[(4R)-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepan-1-yl]methanone
CID 129343902
(3-aminopiperidin-1-yl)-[6-(N-methylanilino)-3-pyridinyl]methanone;dihydrochloride
CID 119381632
[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-[6-(dimethylamino)-3-pyridinyl]methanone
CID 79410918
[6-(dimethylamino)-3-pyridinyl]-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone
CID 95343515
(3R)-N-cyclopentyl-1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-sulfonamide
CID 97348547
N-phenyl-1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidine-3-sulfonamide
CID 75476106
(6-anilino-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 23725328

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[6-(dimethylamino)pyridine-3-carbonyl]-N-phenylpiperidine-3-sulfonamide?
The IUPAC name of (3S)-1-[6-(dimethylamino)pyridine-3-carbonyl]-N-phenylpiperidine-3-sulfonamide (CID 97348370) is (3S)-1-[6-(dimethylamino)pyridine-3-carbonyl]-N-phenylpiperidine-3-sulfonamide.
What is the SMILES notation for (3S)-1-[6-(dimethylamino)pyridine-3-carbonyl]-N-phenylpiperidine-3-sulfonamide?
The canonical SMILES for (3S)-1-[6-(dimethylamino)pyridine-3-carbonyl]-N-phenylpiperidine-3-sulfonamide is CN(C)c1ccc(C(=O)N2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)cn1.
What is the InChIKey of (3S)-1-[6-(dimethylamino)pyridine-3-carbonyl]-N-phenylpiperidine-3-sulfonamide?
The InChIKey is KRHQJVASJYDJCR-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H24N4O3S/c1-22(2)18-11-10-15(13-20-18)19(24)23-12-6-9-17(14-23)27(25,26)21-16-7-4-3-5-8-16/h3-5,7-8,10-11,13,17,21H,6,9,12,14H2,1-2H3/t17-/m0/s1.
What are the key properties of (3S)-1-[6-(dimethylamino)pyridine-3-carbonyl]-N-phenylpiperidine-3-sulfonamide?
(3S)-1-[6-(dimethylamino)pyridine-3-carbonyl]-N-phenylpiperidine-3-sulfonamide has a molecular weight of 388.49 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[6-(dimethylamino)pyridine-3-carbonyl]-N-phenylpiperidine-3-sulfonamide is sourced from PubChem (CID 97348370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).