6-methyl-3-oxo-N-[[(2R)-oxolan-2-yl]methyl]-4H-1,4-benzoxazine-7-sulfonamide

C14H18N2O5S — CID 92683774

IUPAC6-methyl-3-oxo-N-[[(2R)-oxolan-2-yl]methyl]-4H-1,4-benzoxazine-7-sulfonamide
SMILESCc1cc2c(cc1S(=O)(=O)NC[C@H]1CCCO1)OCC(=O)N2
InChIInChI=1S/C14H18N2O5S/c1-9-5-11-12(21-8-14(17)16-11)6-13(9)22(18,19)15-7-10-3-2-4-20-10/h5-6,10,15H,2-4,7-8H2,1H3,(H,16,17)/t10-/m1/s1
InChIKeyAZFGIQNFWCSYKU-SNVBAGLBSA-N
MW326.37 g/mol
LogP0.78
Rot. Bonds4

About 6-methyl-3-oxo-N-[[(2R)-oxolan-2-yl]methyl]-4H-1,4-benzoxazine-7-sulfonamide

6-methyl-3-oxo-N-[[(2R)-oxolan-2-yl]methyl]-4H-1,4-benzoxazine-7-sulfonamide (PubChem CID 92683774) has the molecular formula C14H18N2O5S and a molecular weight of 326.37 g/mol. Its IUPAC name is 6-methyl-3-oxo-N-[[(2R)-oxolan-2-yl]methyl]-4H-1,4-benzoxazine-7-sulfonamide.

Molecular Properties

Compound Name6-methyl-3-oxo-N-[[(2R)-oxolan-2-yl]methyl]-4H-1,4-benzoxazine-7-sulfonamide
PubChem CID92683774
Molecular FormulaC14H18N2O5S
Molecular Weight326.37 g/mol
Exact Mass326.09
IUPAC Name6-methyl-3-oxo-N-[[(2R)-oxolan-2-yl]methyl]-4H-1,4-benzoxazine-7-sulfonamide
SMILESCc1cc2c(cc1S(=O)(=O)NC[C@H]1CCCO1)OCC(=O)N2
InChIInChI=1S/C14H18N2O5S/c1-9-5-11-12(21-8-14(17)16-11)6-13(9)22(18,19)15-7-10-3-2-4-20-10/h5-6,10,15H,2-4,7-8H2,1H3,(H,16,17)/t10-/m1/s1
InChIKeyAZFGIQNFWCSYKU-SNVBAGLBSA-N
XLogP0.78
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-methyl-3-oxo-N-[[(2R)-oxolan-2-yl]methyl]-4H-1,4-benzoxazine-7-sulfonamide with MolForge

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Related Compounds

6-methyl-3-oxo-N-(oxolan-2-ylmethyl)-4H-1,4-benzoxazine-7-sulfonamide
CID 6624144
N-cycloheptyl-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
CID 5312260
2-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl-methylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 93060674
N-(2,3-dimethylcyclohexyl)-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
CID 6624217
N-[(4-methoxyphenyl)methyl]-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
CID 119055497
N-[2-(4-chlorophenyl)ethyl]-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
CID 22548331
6-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
CID 46273336
N-[(2,5-dimethylpyrazol-3-yl)methyl]-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
CID 119055488
2,3,4,5-tetramethyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 51681797
6-bromo-3-oxo-N-(pyrrolidin-2-ylmethyl)-4H-1,4-benzoxazine-7-sulfonamide;hydrochloride
CID 119974450
4-methoxy-2,3,5-trimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 1085540
N-(4-methoxyphenyl)-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
CID 22548325

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-oxo-N-[[(2R)-oxolan-2-yl]methyl]-4H-1,4-benzoxazine-7-sulfonamide?
The IUPAC name of 6-methyl-3-oxo-N-[[(2R)-oxolan-2-yl]methyl]-4H-1,4-benzoxazine-7-sulfonamide (CID 92683774) is 6-methyl-3-oxo-N-[[(2R)-oxolan-2-yl]methyl]-4H-1,4-benzoxazine-7-sulfonamide.
What is the SMILES notation for 6-methyl-3-oxo-N-[[(2R)-oxolan-2-yl]methyl]-4H-1,4-benzoxazine-7-sulfonamide?
The canonical SMILES for 6-methyl-3-oxo-N-[[(2R)-oxolan-2-yl]methyl]-4H-1,4-benzoxazine-7-sulfonamide is Cc1cc2c(cc1S(=O)(=O)NC[C@H]1CCCO1)OCC(=O)N2.
What is the InChIKey of 6-methyl-3-oxo-N-[[(2R)-oxolan-2-yl]methyl]-4H-1,4-benzoxazine-7-sulfonamide?
The InChIKey is AZFGIQNFWCSYKU-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H18N2O5S/c1-9-5-11-12(21-8-14(17)16-11)6-13(9)22(18,19)15-7-10-3-2-4-20-10/h5-6,10,15H,2-4,7-8H2,1H3,(H,16,17)/t10-/m1/s1.
What are the key properties of 6-methyl-3-oxo-N-[[(2R)-oxolan-2-yl]methyl]-4H-1,4-benzoxazine-7-sulfonamide?
6-methyl-3-oxo-N-[[(2R)-oxolan-2-yl]methyl]-4H-1,4-benzoxazine-7-sulfonamide has a molecular weight of 326.37 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-oxo-N-[[(2R)-oxolan-2-yl]methyl]-4H-1,4-benzoxazine-7-sulfonamide is sourced from PubChem (CID 92683774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).