3-methyl-6-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-one

C13H16N2O4S — CID 1083176

IUPAC3-methyl-6-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-one
SMILESCn1c(=O)oc2cc(S(=O)(=O)N3CCCCC3)ccc21
InChIInChI=1S/C13H16N2O4S/c1-14-11-6-5-10(9-12(11)19-13(14)16)20(17,18)15-7-3-2-4-8-15/h5-6,9H,2-4,7-8H2,1H3
InChIKeyDZNSDQIVJQZTKQ-UHFFFAOYSA-N
MW296.35 g/mol
LogP1.31
Rot. Bonds2

About 3-methyl-6-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-one

3-methyl-6-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-one (PubChem CID 1083176) has the molecular formula C13H16N2O4S and a molecular weight of 296.35 g/mol. Its IUPAC name is 3-methyl-6-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-methyl-6-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-one
PubChem CID1083176
Molecular FormulaC13H16N2O4S
Molecular Weight296.35 g/mol
Exact Mass296.08
IUPAC Name3-methyl-6-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-one
SMILESCn1c(=O)oc2cc(S(=O)(=O)N3CCCCC3)ccc21
InChIInChI=1S/C13H16N2O4S/c1-14-11-6-5-10(9-12(11)19-13(14)16)20(17,18)15-7-3-2-4-8-15/h5-6,9H,2-4,7-8H2,1H3
InChIKeyDZNSDQIVJQZTKQ-UHFFFAOYSA-N
XLogP1.31
TPSA72.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-methyl-6-piperidin-1-ylsulfonyl-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

3-Methyl-2-oxo-N-phenyl-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
CID 564213
N-(2-Fluorophenyl)-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
CID 611342
N-(4-fluorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 728803
3-[2-Oxo-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-1,3-benzoxazol-3-yl]propanoic acid
CID 7131707
2,3-Dihydro-2-oxobenzoxazole-6-sulphonamide
CID 89878
methyl 2-oxo-5-(piperidin-1-ylsulfonyl)-1,3-benzoxazole-3(2H)-carboxylate
CID 712076
N-[4-(3-Methyl-2-oxo-2,3-dihydro-benzooxazole-6-sulfonylamino)-phenyl]-acetamide
CID 1093454
N,3-dimethyl-2-oxo-N-phenyl-1,3-benzoxazole-6-sulfonamide
CID 1093455
3-Methyl-6-(4-methyl-piperidine-1-sulfonyl)-3H-benzooxazol-2-one
CID 1093465
N-cyclohexyl-N-methyl-2-oxo-2,3-dihydrobenzo[d]oxazole-6-sulfonamide
CID 1828480
6-(2,3-Dihydroindol-1-ylsulfonyl)-3-methyl-1,3-benzoxazol-2-one
CID 1965778
6-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one
CID 3379018

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-one?
The IUPAC name of 3-methyl-6-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-one (CID 1083176) is 3-methyl-6-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-methyl-6-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-one?
The canonical SMILES for 3-methyl-6-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-one is Cn1c(=O)oc2cc(S(=O)(=O)N3CCCCC3)ccc21.
What is the InChIKey of 3-methyl-6-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-one?
The InChIKey is DZNSDQIVJQZTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4S/c1-14-11-6-5-10(9-12(11)19-13(14)16)20(17,18)15-7-3-2-4-8-15/h5-6,9H,2-4,7-8H2,1H3.
What are the key properties of 3-methyl-6-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-one?
3-methyl-6-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-one has a molecular weight of 296.35 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 1083176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).