2-[6-(2-methylpiperidin-1-yl)sulfonyl-2-oxo-1,3-benzoxazol-3-yl]acetate

C15H17N2O6S- — CID 3590658

IUPAC2-[6-(2-methylpiperidin-1-yl)sulfonyl-2-oxo-1,3-benzoxazol-3-yl]acetate
SMILESCC1CCCCN1S(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)[O-]
InChIInChI=1S/C15H18N2O6S/c1-10-4-2-3-7-17(10)24(21,22)11-5-6-12-13(8-11)23-15(20)16(12)9-14(18)19/h5-6,8,10H,2-4,7,9H2,1H3,(H,18,19)/p-1
InChIKeyKVPJCUGKDHCHPC-UHFFFAOYSA-M
MW353.38 g/mol
LogP-0.09
Rot. Bonds4

About 2-[6-(2-methylpiperidin-1-yl)sulfonyl-2-oxo-1,3-benzoxazol-3-yl]acetate

2-[6-(2-methylpiperidin-1-yl)sulfonyl-2-oxo-1,3-benzoxazol-3-yl]acetate (PubChem CID 3590658) has the molecular formula C15H17N2O6S- and a molecular weight of 353.38 g/mol. Its IUPAC name is 2-[6-(2-methylpiperidin-1-yl)sulfonyl-2-oxo-1,3-benzoxazol-3-yl]acetate.

Molecular Properties

Compound Name2-[6-(2-methylpiperidin-1-yl)sulfonyl-2-oxo-1,3-benzoxazol-3-yl]acetate
PubChem CID3590658
Molecular FormulaC15H17N2O6S-
Molecular Weight353.38 g/mol
Exact Mass353.08
IUPAC Name2-[6-(2-methylpiperidin-1-yl)sulfonyl-2-oxo-1,3-benzoxazol-3-yl]acetate
SMILESCC1CCCCN1S(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)[O-]
InChIInChI=1S/C15H18N2O6S/c1-10-4-2-3-7-17(10)24(21,22)11-5-6-12-13(8-11)23-15(20)16(12)9-14(18)19/h5-6,8,10H,2-4,7,9H2,1H3,(H,18,19)/p-1
InChIKeyKVPJCUGKDHCHPC-UHFFFAOYSA-M
XLogP-0.09
TPSA112.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 5-0.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-[6-(2-methylpiperidin-1-yl)sulfonyl-2-oxo-1,3-benzoxazol-3-yl]acetate
CID 53051836
2-[6-(cyclohexylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]acetate
CID 3590656
6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzothiazol-2-one
CID 97044319
2-[6-(azepan-1-ylsulfonyl)-2-oxo-1,3-benzoxazol-3-yl]acetic acid
CID 3672745
N-cycloheptyl-2-(2-oxo-6-piperidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)acetamide
CID 20879513
6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 92667389
3-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-6-(4-methylpiperidin-1-yl)sulfonyl-1,3-benzoxazol-2-one
CID 92666366
3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanoate
CID 7131706
6-(azepan-1-ylsulfonyl)-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-2-one
CID 19260010
3-(2-morpholin-4-yl-2-oxoethyl)-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-2-one
CID 19259995
ethyl 2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)acetate
CID 6622485
6-[2-(hydroxymethyl)pyrrolidin-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one
CID 61409148

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-methylpiperidin-1-yl)sulfonyl-2-oxo-1,3-benzoxazol-3-yl]acetate?
The IUPAC name of 2-[6-(2-methylpiperidin-1-yl)sulfonyl-2-oxo-1,3-benzoxazol-3-yl]acetate (CID 3590658) is 2-[6-(2-methylpiperidin-1-yl)sulfonyl-2-oxo-1,3-benzoxazol-3-yl]acetate.
What is the SMILES notation for 2-[6-(2-methylpiperidin-1-yl)sulfonyl-2-oxo-1,3-benzoxazol-3-yl]acetate?
The canonical SMILES for 2-[6-(2-methylpiperidin-1-yl)sulfonyl-2-oxo-1,3-benzoxazol-3-yl]acetate is CC1CCCCN1S(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)[O-].
What is the InChIKey of 2-[6-(2-methylpiperidin-1-yl)sulfonyl-2-oxo-1,3-benzoxazol-3-yl]acetate?
The InChIKey is KVPJCUGKDHCHPC-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H18N2O6S/c1-10-4-2-3-7-17(10)24(21,22)11-5-6-12-13(8-11)23-15(20)16(12)9-14(18)19/h5-6,8,10H,2-4,7,9H2,1H3,(H,18,19)/p-1.
What are the key properties of 2-[6-(2-methylpiperidin-1-yl)sulfonyl-2-oxo-1,3-benzoxazol-3-yl]acetate?
2-[6-(2-methylpiperidin-1-yl)sulfonyl-2-oxo-1,3-benzoxazol-3-yl]acetate has a molecular weight of 353.38 g/mol, XLogP of -0.09, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-methylpiperidin-1-yl)sulfonyl-2-oxo-1,3-benzoxazol-3-yl]acetate is sourced from PubChem (CID 3590658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).