6-[(2-methyl-1,3-oxazinan-3-yl)sulfonyl]-3H-1,3-benzoxazol-2-one

C12H14N2O5S — CID 110739902

IUPAC6-[(2-methyl-1,3-oxazinan-3-yl)sulfonyl]-3H-1,3-benzoxazol-2-one
SMILESCC1OCCCN1S(=O)(=O)c1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C12H14N2O5S/c1-8-14(5-2-6-18-8)20(16,17)9-3-4-10-11(7-9)19-12(15)13-10/h3-4,7-8H,2,5-6H2,1H3,(H,13,15)
InChIKeyVIFOOQKKAHKLTE-UHFFFAOYSA-N
MW298.32 g/mol
LogP0.88
Rot. Bonds2

About 6-[(2-methyl-1,3-oxazinan-3-yl)sulfonyl]-3H-1,3-benzoxazol-2-one

6-[(2-methyl-1,3-oxazinan-3-yl)sulfonyl]-3H-1,3-benzoxazol-2-one (PubChem CID 110739902) has the molecular formula C12H14N2O5S and a molecular weight of 298.32 g/mol. Its IUPAC name is 6-[(2-methyl-1,3-oxazinan-3-yl)sulfonyl]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[(2-methyl-1,3-oxazinan-3-yl)sulfonyl]-3H-1,3-benzoxazol-2-one
PubChem CID110739902
Molecular FormulaC12H14N2O5S
Molecular Weight298.32 g/mol
Exact Mass298.06
IUPAC Name6-[(2-methyl-1,3-oxazinan-3-yl)sulfonyl]-3H-1,3-benzoxazol-2-one
SMILESCC1OCCCN1S(=O)(=O)c1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C12H14N2O5S/c1-8-14(5-2-6-18-8)20(16,17)9-3-4-10-11(7-9)19-12(15)13-10/h3-4,7-8H,2,5-6H2,1H3,(H,13,15)
InChIKeyVIFOOQKKAHKLTE-UHFFFAOYSA-N
XLogP0.88
TPSA92.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[(2-methyl-1,3-oxazinan-3-yl)sulfonyl]-3H-1,3-benzoxazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(2S)-2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one
CID 110285970
6-(3-methylpiperidin-1-yl)sulfonyl-3H-1,3-benzoxazol-2-one
CID 20866159
2-methyl-3-(4-methylphenyl)sulfonyl-1,3-oxazinane
CID 110739862
6-(2,5,5-trimethylmorpholin-4-yl)sulfonyl-3H-1,3-benzoxazol-2-one
CID 110284519
6-[2-(3-methyl-4-oxoquinazolin-2-yl)pyrrolidin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one
CID 126949409
6-(1-oxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-3H-1,3-benzoxazol-2-one
CID 56900612
6-(3-oxo-2-phenylpiperazin-1-yl)sulfonyl-3H-1,3-benzoxazol-2-one
CID 110644647
6-[2-[(6-oxopyridazin-1-yl)methyl]pyrrolidin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one
CID 126923225
methyl 2-[3-oxo-1-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyl]piperazin-2-yl]acetate
CID 19259639
3-(4-cyclopentyloxyphenyl)sulfonyl-2-methyl-1,3-oxazinane
CID 110739906
1-[4-[(2-methyl-1,3-oxazinan-3-yl)sulfonyl]phenyl]pyrrolidin-2-one
CID 110739907
(3S)-N-(4-methylcyclohexyl)-1-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxamide
CID 92708441

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methyl-1,3-oxazinan-3-yl)sulfonyl]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-[(2-methyl-1,3-oxazinan-3-yl)sulfonyl]-3H-1,3-benzoxazol-2-one (CID 110739902) is 6-[(2-methyl-1,3-oxazinan-3-yl)sulfonyl]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[(2-methyl-1,3-oxazinan-3-yl)sulfonyl]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[(2-methyl-1,3-oxazinan-3-yl)sulfonyl]-3H-1,3-benzoxazol-2-one is CC1OCCCN1S(=O)(=O)c1ccc2[nH]c(=O)oc2c1.
What is the InChIKey of 6-[(2-methyl-1,3-oxazinan-3-yl)sulfonyl]-3H-1,3-benzoxazol-2-one?
The InChIKey is VIFOOQKKAHKLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O5S/c1-8-14(5-2-6-18-8)20(16,17)9-3-4-10-11(7-9)19-12(15)13-10/h3-4,7-8H,2,5-6H2,1H3,(H,13,15).
What are the key properties of 6-[(2-methyl-1,3-oxazinan-3-yl)sulfonyl]-3H-1,3-benzoxazol-2-one?
6-[(2-methyl-1,3-oxazinan-3-yl)sulfonyl]-3H-1,3-benzoxazol-2-one has a molecular weight of 298.32 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methyl-1,3-oxazinan-3-yl)sulfonyl]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 110739902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).