7-(3,5-dimethylpiperidin-1-yl)sulfonyl-6-methyl-4H-1,4-benzoxazin-3-one

C16H22N2O4S — CID 6624181

IUPAC7-(3,5-dimethylpiperidin-1-yl)sulfonyl-6-methyl-4H-1,4-benzoxazin-3-one
SMILESCc1cc2c(cc1S(=O)(=O)N1CC(C)CC(C)C1)OCC(=O)N2
InChIInChI=1S/C16H22N2O4S/c1-10-4-11(2)8-18(7-10)23(20,21)15-6-14-13(5-12(15)3)17-16(19)9-22-14/h5-6,10-11H,4,7-9H2,1-3H3,(H,17,19)
InChIKeyLNPWMAZJLPWNSR-UHFFFAOYSA-N
MW338.43 g/mol
LogP1.99
Rot. Bonds2

About 7-(3,5-dimethylpiperidin-1-yl)sulfonyl-6-methyl-4H-1,4-benzoxazin-3-one

7-(3,5-dimethylpiperidin-1-yl)sulfonyl-6-methyl-4H-1,4-benzoxazin-3-one (PubChem CID 6624181) has the molecular formula C16H22N2O4S and a molecular weight of 338.43 g/mol. Its IUPAC name is 7-(3,5-dimethylpiperidin-1-yl)sulfonyl-6-methyl-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name7-(3,5-dimethylpiperidin-1-yl)sulfonyl-6-methyl-4H-1,4-benzoxazin-3-one
PubChem CID6624181
Molecular FormulaC16H22N2O4S
Molecular Weight338.43 g/mol
Exact Mass338.13
IUPAC Name7-(3,5-dimethylpiperidin-1-yl)sulfonyl-6-methyl-4H-1,4-benzoxazin-3-one
SMILESCc1cc2c(cc1S(=O)(=O)N1CC(C)CC(C)C1)OCC(=O)N2
InChIInChI=1S/C16H22N2O4S/c1-10-4-11(2)8-18(7-10)23(20,21)15-6-14-13(5-12(15)3)17-16(19)9-22-14/h5-6,10-11H,4,7-9H2,1-3H3,(H,17,19)
InChIKeyLNPWMAZJLPWNSR-UHFFFAOYSA-N
XLogP1.99
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dimethylpiperidin-1-yl)sulfonyl-6-methyl-4H-1,4-benzoxazin-3-one?
The IUPAC name of 7-(3,5-dimethylpiperidin-1-yl)sulfonyl-6-methyl-4H-1,4-benzoxazin-3-one (CID 6624181) is 7-(3,5-dimethylpiperidin-1-yl)sulfonyl-6-methyl-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 7-(3,5-dimethylpiperidin-1-yl)sulfonyl-6-methyl-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 7-(3,5-dimethylpiperidin-1-yl)sulfonyl-6-methyl-4H-1,4-benzoxazin-3-one is Cc1cc2c(cc1S(=O)(=O)N1CC(C)CC(C)C1)OCC(=O)N2.
What is the InChIKey of 7-(3,5-dimethylpiperidin-1-yl)sulfonyl-6-methyl-4H-1,4-benzoxazin-3-one?
The InChIKey is LNPWMAZJLPWNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4S/c1-10-4-11(2)8-18(7-10)23(20,21)15-6-14-13(5-12(15)3)17-16(19)9-22-14/h5-6,10-11H,4,7-9H2,1-3H3,(H,17,19).
What are the key properties of 7-(3,5-dimethylpiperidin-1-yl)sulfonyl-6-methyl-4H-1,4-benzoxazin-3-one?
7-(3,5-dimethylpiperidin-1-yl)sulfonyl-6-methyl-4H-1,4-benzoxazin-3-one has a molecular weight of 338.43 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-dimethylpiperidin-1-yl)sulfonyl-6-methyl-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 6624181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).