3-methyl-6-(4-methylpiperidin-1-yl)sulfonyl-1,3-benzoxazol-2-one

C14H18N2O4S — CID 1093465

IUPAC3-methyl-6-(4-methylpiperidin-1-yl)sulfonyl-1,3-benzoxazol-2-one
SMILESCC1CCN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)CC1
InChIInChI=1S/C14H18N2O4S/c1-10-5-7-16(8-6-10)21(18,19)11-3-4-12-13(9-11)20-14(17)15(12)2/h3-4,9-10H,5-8H2,1-2H3
InChIKeyGFUWESKDWMUGSG-UHFFFAOYSA-N
MW310.38 g/mol
LogP1.55
Rot. Bonds2

About 3-methyl-6-(4-methylpiperidin-1-yl)sulfonyl-1,3-benzoxazol-2-one

3-methyl-6-(4-methylpiperidin-1-yl)sulfonyl-1,3-benzoxazol-2-one (PubChem CID 1093465) has the molecular formula C14H18N2O4S and a molecular weight of 310.38 g/mol. Its IUPAC name is 3-methyl-6-(4-methylpiperidin-1-yl)sulfonyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-methyl-6-(4-methylpiperidin-1-yl)sulfonyl-1,3-benzoxazol-2-one
PubChem CID1093465
Molecular FormulaC14H18N2O4S
Molecular Weight310.38 g/mol
Exact Mass310.10
IUPAC Name3-methyl-6-(4-methylpiperidin-1-yl)sulfonyl-1,3-benzoxazol-2-one
SMILESCC1CCN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)CC1
InChIInChI=1S/C14H18N2O4S/c1-10-5-7-16(8-6-10)21(18,19)11-3-4-12-13(9-11)20-14(17)15(12)2/h3-4,9-10H,5-8H2,1-2H3
InChIKeyGFUWESKDWMUGSG-UHFFFAOYSA-N
XLogP1.55
TPSA72.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(4-methylpiperidin-1-yl)sulfonyl-1,3-benzoxazol-2-one?
The IUPAC name of 3-methyl-6-(4-methylpiperidin-1-yl)sulfonyl-1,3-benzoxazol-2-one (CID 1093465) is 3-methyl-6-(4-methylpiperidin-1-yl)sulfonyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-methyl-6-(4-methylpiperidin-1-yl)sulfonyl-1,3-benzoxazol-2-one?
The canonical SMILES for 3-methyl-6-(4-methylpiperidin-1-yl)sulfonyl-1,3-benzoxazol-2-one is CC1CCN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)CC1.
What is the InChIKey of 3-methyl-6-(4-methylpiperidin-1-yl)sulfonyl-1,3-benzoxazol-2-one?
The InChIKey is GFUWESKDWMUGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S/c1-10-5-7-16(8-6-10)21(18,19)11-3-4-12-13(9-11)20-14(17)15(12)2/h3-4,9-10H,5-8H2,1-2H3.
What are the key properties of 3-methyl-6-(4-methylpiperidin-1-yl)sulfonyl-1,3-benzoxazol-2-one?
3-methyl-6-(4-methylpiperidin-1-yl)sulfonyl-1,3-benzoxazol-2-one has a molecular weight of 310.38 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(4-methylpiperidin-1-yl)sulfonyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 1093465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).