(2R)-2-methyl-N-(2-methylpropyl)-3-oxo-4H-1,4-benzoxazine-7-sulfonamide

C13H18N2O4S — CID 124853126

IUPAC(2R)-2-methyl-N-(2-methylpropyl)-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
SMILESCC(C)CNS(=O)(=O)c1ccc2c(c1)O[C@H](C)C(=O)N2
InChIInChI=1S/C13H18N2O4S/c1-8(2)7-14-20(17,18)10-4-5-11-12(6-10)19-9(3)13(16)15-11/h4-6,8-9,14H,7H2,1-3H3,(H,15,16)/t9-/m1/s1
InChIKeyVOKUCIKCFAWJNW-SECBINFHSA-N
MW298.36 g/mol
LogP1.34
Rot. Bonds4

About (2R)-2-methyl-N-(2-methylpropyl)-3-oxo-4H-1,4-benzoxazine-7-sulfonamide

(2R)-2-methyl-N-(2-methylpropyl)-3-oxo-4H-1,4-benzoxazine-7-sulfonamide (PubChem CID 124853126) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is (2R)-2-methyl-N-(2-methylpropyl)-3-oxo-4H-1,4-benzoxazine-7-sulfonamide.

Molecular Properties

Compound Name(2R)-2-methyl-N-(2-methylpropyl)-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
PubChem CID124853126
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name(2R)-2-methyl-N-(2-methylpropyl)-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
SMILESCC(C)CNS(=O)(=O)c1ccc2c(c1)O[C@H](C)C(=O)N2
InChIInChI=1S/C13H18N2O4S/c1-8(2)7-14-20(17,18)10-4-5-11-12(6-10)19-9(3)13(16)15-11/h4-6,8-9,14H,7H2,1-3H3,(H,15,16)/t9-/m1/s1
InChIKeyVOKUCIKCFAWJNW-SECBINFHSA-N
XLogP1.34
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-2-methyl-N-(2-methylpropyl)-3-oxo-4H-1,4-benzoxazine-7-sulfonamide with MolForge

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Related Compounds

(2S)-2-methyl-N-(1-methylpyrazol-4-yl)-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
CID 124842502
N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 82355229
(2R)-N-(3-methoxypropyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 51497441
2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
CID 171138533
(2S)-7-(azepan-1-ylsulfonyl)-2-methyl-4H-1,4-benzoxazin-3-one
CID 124854790
(2S)-2-methyl-3-oxo-N-(2-oxo-2-piperidin-1-ylethyl)-4H-1,4-benzoxazine-6-sulfonamide
CID 100831044
(2S)-2-methyl-7-(4-methylsulfonylpiperazin-1-yl)sulfonyl-4H-1,4-benzoxazin-3-one
CID 124853473
2-methyl-6-propylsulfonyl-4H-1,4-benzoxazin-3-one
CID 82233482
N-(2-methylpropyl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-sulfonamide
CID 39100355
2-methyl-3-oxo-N-(pyridin-3-ylmethyl)-4H-1,4-benzoxazine-6-sulfonamide
CID 46962904
(2S)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 100831049
(2R)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 100831048

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-N-(2-methylpropyl)-3-oxo-4H-1,4-benzoxazine-7-sulfonamide?
The IUPAC name of (2R)-2-methyl-N-(2-methylpropyl)-3-oxo-4H-1,4-benzoxazine-7-sulfonamide (CID 124853126) is (2R)-2-methyl-N-(2-methylpropyl)-3-oxo-4H-1,4-benzoxazine-7-sulfonamide.
What is the SMILES notation for (2R)-2-methyl-N-(2-methylpropyl)-3-oxo-4H-1,4-benzoxazine-7-sulfonamide?
The canonical SMILES for (2R)-2-methyl-N-(2-methylpropyl)-3-oxo-4H-1,4-benzoxazine-7-sulfonamide is CC(C)CNS(=O)(=O)c1ccc2c(c1)O[C@H](C)C(=O)N2.
What is the InChIKey of (2R)-2-methyl-N-(2-methylpropyl)-3-oxo-4H-1,4-benzoxazine-7-sulfonamide?
The InChIKey is VOKUCIKCFAWJNW-SECBINFHSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-8(2)7-14-20(17,18)10-4-5-11-12(6-10)19-9(3)13(16)15-11/h4-6,8-9,14H,7H2,1-3H3,(H,15,16)/t9-/m1/s1.
What are the key properties of (2R)-2-methyl-N-(2-methylpropyl)-3-oxo-4H-1,4-benzoxazine-7-sulfonamide?
(2R)-2-methyl-N-(2-methylpropyl)-3-oxo-4H-1,4-benzoxazine-7-sulfonamide has a molecular weight of 298.36 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-N-(2-methylpropyl)-3-oxo-4H-1,4-benzoxazine-7-sulfonamide is sourced from PubChem (CID 124853126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).