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

C12H14N2O4S — CID 921945

IUPAC6-piperidin-1-ylsulfonyl-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2ccc(S(=O)(=O)N3CCCCC3)cc2o1
InChIInChI=1S/C12H14N2O4S/c15-12-13-10-5-4-9(8-11(10)18-12)19(16,17)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7H2,(H,13,15)
InChIKeyJIKLIVODTUMFBV-UHFFFAOYSA-N
MW282.32 g/mol
LogP1.30
Rot. Bonds2

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

6-piperidin-1-ylsulfonyl-3H-1,3-benzoxazol-2-one (PubChem CID 921945) has the molecular formula C12H14N2O4S and a molecular weight of 282.32 g/mol. Its IUPAC name is 6-piperidin-1-ylsulfonyl-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-piperidin-1-ylsulfonyl-3H-1,3-benzoxazol-2-one
PubChem CID921945
Molecular FormulaC12H14N2O4S
Molecular Weight282.32 g/mol
Exact Mass282.07
IUPAC Name6-piperidin-1-ylsulfonyl-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2ccc(S(=O)(=O)N3CCCCC3)cc2o1
InChIInChI=1S/C12H14N2O4S/c15-12-13-10-5-4-9(8-11(10)18-12)19(16,17)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7H2,(H,13,15)
InChIKeyJIKLIVODTUMFBV-UHFFFAOYSA-N
XLogP1.30
TPSA83.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2(3H)-Benzoxazolone, 6-[(2-hydroxyethyl)sulfonyl]-
CID 78732
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-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one
CID 3379018

Frequently Asked Questions

What is the IUPAC name of 6-piperidin-1-ylsulfonyl-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-piperidin-1-ylsulfonyl-3H-1,3-benzoxazol-2-one (CID 921945) is 6-piperidin-1-ylsulfonyl-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-piperidin-1-ylsulfonyl-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-piperidin-1-ylsulfonyl-3H-1,3-benzoxazol-2-one is O=c1[nH]c2ccc(S(=O)(=O)N3CCCCC3)cc2o1.
What is the InChIKey of 6-piperidin-1-ylsulfonyl-3H-1,3-benzoxazol-2-one?
The InChIKey is JIKLIVODTUMFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4S/c15-12-13-10-5-4-9(8-11(10)18-12)19(16,17)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7H2,(H,13,15).
What are the key properties of 6-piperidin-1-ylsulfonyl-3H-1,3-benzoxazol-2-one?
6-piperidin-1-ylsulfonyl-3H-1,3-benzoxazol-2-one has a molecular weight of 282.32 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-piperidin-1-ylsulfonyl-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 921945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).