N-[(3S)-1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]benzenesulfonamide

C16H19N3O4S — CID 95297567

IUPACN-[(3S)-1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]benzenesulfonamide
SMILESCc1cc(C(=O)N2CCC[C@H](NS(=O)(=O)c3ccccc3)C2)on1
InChIInChI=1S/C16H19N3O4S/c1-12-10-15(23-17-12)16(20)19-9-5-6-13(11-19)18-24(21,22)14-7-3-2-4-8-14/h2-4,7-8,10,13,18H,5-6,9,11H2,1H3/t13-/m0/s1
InChIKeyJYYYDSQEBFNBHD-ZDUSSCGKSA-N
MW349.41 g/mol
LogP1.57
Rot. Bonds4

About N-[(3S)-1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]benzenesulfonamide

N-[(3S)-1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]benzenesulfonamide (PubChem CID 95297567) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is N-[(3S)-1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(3S)-1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]benzenesulfonamide
PubChem CID95297567
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC NameN-[(3S)-1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]benzenesulfonamide
SMILESCc1cc(C(=O)N2CCC[C@H](NS(=O)(=O)c3ccccc3)C2)on1
InChIInChI=1S/C16H19N3O4S/c1-12-10-15(23-17-12)16(20)19-9-5-6-13(11-19)18-24(21,22)14-7-3-2-4-8-14/h2-4,7-8,10,13,18H,5-6,9,11H2,1H3/t13-/m0/s1
InChIKeyJYYYDSQEBFNBHD-ZDUSSCGKSA-N
XLogP1.57
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]methanesulfonamide
CID 47184528
N-[(3S)-1-(2-methylfuran-3-carbonyl)piperidin-3-yl]benzenesulfonamide
CID 95296015
(3-chloropiperidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone
CID 63392780
2-methyl-2-[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]propanoic acid
CID 83197337
N-[(3R)-1-(2-ethoxyacetyl)piperidin-3-yl]benzenesulfonamide
CID 95331654
N-[4-(cyclohexylsulfamoyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 43911307
N-[(3R)-1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]-1-propan-2-ylpyrazole-3-carboxamide
CID 125420753
N-[1-(4-methoxybutanoyl)piperidin-3-yl]benzenesulfonamide
CID 56801932
N-[(3S)-1-(4-methoxybutanoyl)piperidin-3-yl]benzenesulfonamide
CID 95599233
(3R)-1-(3-methyl-1,2-oxazole-5-carbonyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 94638745
[2-[[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 163339997
(3-methyl-1,2-oxazol-5-yl)-[3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 16672677

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]benzenesulfonamide?
The IUPAC name of N-[(3S)-1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]benzenesulfonamide (CID 95297567) is N-[(3S)-1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]benzenesulfonamide.
What is the SMILES notation for N-[(3S)-1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]benzenesulfonamide?
The canonical SMILES for N-[(3S)-1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]benzenesulfonamide is Cc1cc(C(=O)N2CCC[C@H](NS(=O)(=O)c3ccccc3)C2)on1.
What is the InChIKey of N-[(3S)-1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]benzenesulfonamide?
The InChIKey is JYYYDSQEBFNBHD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-12-10-15(23-17-12)16(20)19-9-5-6-13(11-19)18-24(21,22)14-7-3-2-4-8-14/h2-4,7-8,10,13,18H,5-6,9,11H2,1H3/t13-/m0/s1.
What are the key properties of N-[(3S)-1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]benzenesulfonamide?
N-[(3S)-1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]benzenesulfonamide has a molecular weight of 349.41 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]benzenesulfonamide is sourced from PubChem (CID 95297567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).