3,5-dimethyl-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]-1,2-oxazole-4-sulfonamide

C16H24N4O5S — CID 10407680

IUPAC3,5-dimethyl-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)N[C@H]1CCCN(CC(=O)N2CCCC2)C1=O
InChIInChI=1S/C16H24N4O5S/c1-11-15(12(2)25-17-11)26(23,24)18-13-6-5-9-20(16(13)22)10-14(21)19-7-3-4-8-19/h13,18H,3-10H2,1-2H3/t13-/m0/s1
InChIKeyUYFZVYHUXHYQIW-ZDUSSCGKSA-N
MW384.46 g/mol
LogP0.18
Rot. Bonds5

About 3,5-dimethyl-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]-1,2-oxazole-4-sulfonamide

3,5-dimethyl-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]-1,2-oxazole-4-sulfonamide (PubChem CID 10407680) has the molecular formula C16H24N4O5S and a molecular weight of 384.46 g/mol. Its IUPAC name is 3,5-dimethyl-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]-1,2-oxazole-4-sulfonamide
PubChem CID10407680
Molecular FormulaC16H24N4O5S
Molecular Weight384.46 g/mol
Exact Mass384.15
IUPAC Name3,5-dimethyl-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)N[C@H]1CCCN(CC(=O)N2CCCC2)C1=O
InChIInChI=1S/C16H24N4O5S/c1-11-15(12(2)25-17-11)26(23,24)18-13-6-5-9-20(16(13)22)10-14(21)19-7-3-4-8-19/h13,18H,3-10H2,1-2H3/t13-/m0/s1
InChIKeyUYFZVYHUXHYQIW-ZDUSSCGKSA-N
XLogP0.18
TPSA112.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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N-[[(2S)-1-[2-[(3S)-3-[2-(5-chlorothiophen-2-yl)ethenylsulfonylamino]-2-oxopiperidin-1-yl]acetyl]pyrrolidin-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 91351199
N-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 129399900
5-chloro-N-[1-[2-[2-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methyl]pyrrolidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]-1-benzothiophene-2-sulfonamide
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N-[2-(azepan-1-yl)-2-oxoethyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
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CID 108565222
[(2S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrrolidin-2-yl]-piperidin-1-ylmethanone
CID 41009516
3,5-dimethyl-N-[(2S)-1-[(4S)-4-methylazepan-1-yl]-1-oxopropan-2-yl]-1,2-oxazole-4-sulfonamide
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[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 51264936
N-[[(2R)-1-[2-[(3S)-3-[[(E)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonylamino]-2-oxopiperidin-1-yl]acetyl]pyrrolidin-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 59056843
N-[1-[[(2S)-1-[2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopiperidin-1-yl]acetyl]pyrrolidin-2-yl]methyl]pyrrolidin-3-yl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide
CID 71228551

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]-1,2-oxazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]-1,2-oxazole-4-sulfonamide (CID 10407680) is 3,5-dimethyl-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]-1,2-oxazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)N[C@H]1CCCN(CC(=O)N2CCCC2)C1=O.
What is the InChIKey of 3,5-dimethyl-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]-1,2-oxazole-4-sulfonamide?
The InChIKey is UYFZVYHUXHYQIW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H24N4O5S/c1-11-15(12(2)25-17-11)26(23,24)18-13-6-5-9-20(16(13)22)10-14(21)19-7-3-4-8-19/h13,18H,3-10H2,1-2H3/t13-/m0/s1.
What are the key properties of 3,5-dimethyl-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]-1,2-oxazole-4-sulfonamide?
3,5-dimethyl-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]-1,2-oxazole-4-sulfonamide has a molecular weight of 384.46 g/mol, XLogP of 0.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 10407680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).