N-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C15H21N5O4S — CID 129399900

IUPACN-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCCn1nccc1N1CCC[C@H](NS(=O)(=O)c2c(C)noc2C)C1=O
InChIInChI=1S/C15H21N5O4S/c1-4-20-13(7-8-16-20)19-9-5-6-12(15(19)21)18-25(22,23)14-10(2)17-24-11(14)3/h7-8,12,18H,4-6,9H2,1-3H3/t12-/m0/s1
InChIKeyYBTCVDBRIUMEET-LBPRGKRZSA-N
MW367.43 g/mol
LogP0.98
Rot. Bonds5

About N-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 129399900) has the molecular formula C15H21N5O4S and a molecular weight of 367.43 g/mol. Its IUPAC name is N-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID129399900
Molecular FormulaC15H21N5O4S
Molecular Weight367.43 g/mol
Exact Mass367.13
IUPAC NameN-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCCn1nccc1N1CCC[C@H](NS(=O)(=O)c2c(C)noc2C)C1=O
InChIInChI=1S/C15H21N5O4S/c1-4-20-13(7-8-16-20)19-9-5-6-12(15(19)21)18-25(22,23)14-10(2)17-24-11(14)3/h7-8,12,18H,4-6,9H2,1-3H3/t12-/m0/s1
InChIKeyYBTCVDBRIUMEET-LBPRGKRZSA-N
XLogP0.98
TPSA110.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide with MolForge

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Related Compounds

4-chloro-N-[1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]benzenesulfonamide
CID 128999336
N-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]pyridine-2-sulfonamide
CID 129327661
(3R)-3-[[ethyl(methyl)sulfamoyl]amino]-1-(2-ethylpyrazol-3-yl)-2-oxopiperidine
CID 129399889
5-chloro-N-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]thiophene-2-sulfonamide
CID 129399904
(2R,6R)-N-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2,6-dimethylmorpholine-4-sulfonamide
CID 129328061
6-cyano-N-[1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]pyridine-3-sulfonamide
CID 129002559
3,5-dimethyl-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]-1,2-oxazole-4-sulfonamide
CID 10407680
4-[(2R)-2-(2-ethylpyrazol-3-yl)pyrrolidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 92870330
N-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2-methylthiophene-3-carboxamide
CID 129488046
N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]naphthalene-1-sulfonamide
CID 129000198
(3S)-1-(2-ethylpyrazol-3-yl)-3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]piperidin-2-one
CID 100653585
N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1-(oxolan-2-yl)methanesulfonamide
CID 129003523

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 129399900) is N-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is CCn1nccc1N1CCC[C@H](NS(=O)(=O)c2c(C)noc2C)C1=O.
What is the InChIKey of N-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is YBTCVDBRIUMEET-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H21N5O4S/c1-4-20-13(7-8-16-20)19-9-5-6-12(15(19)21)18-25(22,23)14-10(2)17-24-11(14)3/h7-8,12,18H,4-6,9H2,1-3H3/t12-/m0/s1.
What are the key properties of N-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 367.43 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 129399900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).