(2S,3S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-3-methylpentanamide

C11H19N3O4S — CID 97311830

IUPAC(2S,3S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-3-methylpentanamide
SMILESCC[C@H](C)[C@H](NS(=O)(=O)c1c(C)noc1C)C(N)=O
InChIInChI=1S/C11H19N3O4S/c1-5-6(2)9(11(12)15)14-19(16,17)10-7(3)13-18-8(10)4/h6,9,14H,5H2,1-4H3,(H2,12,15)/t6-,9-/m0/s1
InChIKeyDMFNWYHBPMMVMV-RCOVLWMOSA-N
MW289.36 g/mol
LogP0.47
Rot. Bonds6

About (2S,3S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-3-methylpentanamide

(2S,3S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-3-methylpentanamide (PubChem CID 97311830) has the molecular formula C11H19N3O4S and a molecular weight of 289.36 g/mol. Its IUPAC name is (2S,3S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-3-methylpentanamide.

Molecular Properties

Compound Name(2S,3S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-3-methylpentanamide
PubChem CID97311830
Molecular FormulaC11H19N3O4S
Molecular Weight289.36 g/mol
Exact Mass289.11
IUPAC Name(2S,3S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-3-methylpentanamide
SMILESCC[C@H](C)[C@H](NS(=O)(=O)c1c(C)noc1C)C(N)=O
InChIInChI=1S/C11H19N3O4S/c1-5-6(2)9(11(12)15)14-19(16,17)10-7(3)13-18-8(10)4/h6,9,14H,5H2,1-4H3,(H2,12,15)/t6-,9-/m0/s1
InChIKeyDMFNWYHBPMMVMV-RCOVLWMOSA-N
XLogP0.47
TPSA115.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]pentanamide
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CID 104873362
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-2-phenylacetamide
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CID 5005523
3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N'-hydroxybutanimidamide
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CID 62645833
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[2-(methylamino)ethyl]propanamide
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CID 119243729
N-but-3-yn-2-yl-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 114419106
[2-(4-ethylanilino)-2-oxoethyl] (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoate
CID 8629301
[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoate
CID 8629362

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-3-methylpentanamide?
The IUPAC name of (2S,3S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-3-methylpentanamide (CID 97311830) is (2S,3S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-3-methylpentanamide.
What is the SMILES notation for (2S,3S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-3-methylpentanamide?
The canonical SMILES for (2S,3S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-3-methylpentanamide is CC[C@H](C)[C@H](NS(=O)(=O)c1c(C)noc1C)C(N)=O.
What is the InChIKey of (2S,3S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-3-methylpentanamide?
The InChIKey is DMFNWYHBPMMVMV-RCOVLWMOSA-N. The full InChI is InChI=1S/C11H19N3O4S/c1-5-6(2)9(11(12)15)14-19(16,17)10-7(3)13-18-8(10)4/h6,9,14H,5H2,1-4H3,(H2,12,15)/t6-,9-/m0/s1.
What are the key properties of (2S,3S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-3-methylpentanamide?
(2S,3S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-3-methylpentanamide has a molecular weight of 289.36 g/mol, XLogP of 0.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-3-methylpentanamide is sourced from PubChem (CID 97311830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).