6-hydroxy-N-(1-methylsulfonylpiperidin-3-yl)-1,3-benzodioxole-5-carboxamide

C14H18N2O6S — CID 49081677

IUPAC6-hydroxy-N-(1-methylsulfonylpiperidin-3-yl)-1,3-benzodioxole-5-carboxamide
SMILESCS(=O)(=O)N1CCCC(NC(=O)c2cc3c(cc2O)OCO3)C1
InChIInChI=1S/C14H18N2O6S/c1-23(19,20)16-4-2-3-9(7-16)15-14(18)10-5-12-13(6-11(10)17)22-8-21-12/h5-6,9,17H,2-4,7-8H2,1H3,(H,15,18)
InChIKeyJEGYFAQYXKTKHU-UHFFFAOYSA-N
MW342.37 g/mol
LogP0.27
Rot. Bonds3

About 6-hydroxy-N-(1-methylsulfonylpiperidin-3-yl)-1,3-benzodioxole-5-carboxamide

6-hydroxy-N-(1-methylsulfonylpiperidin-3-yl)-1,3-benzodioxole-5-carboxamide (PubChem CID 49081677) has the molecular formula C14H18N2O6S and a molecular weight of 342.37 g/mol. Its IUPAC name is 6-hydroxy-N-(1-methylsulfonylpiperidin-3-yl)-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound Name6-hydroxy-N-(1-methylsulfonylpiperidin-3-yl)-1,3-benzodioxole-5-carboxamide
PubChem CID49081677
Molecular FormulaC14H18N2O6S
Molecular Weight342.37 g/mol
Exact Mass342.09
IUPAC Name6-hydroxy-N-(1-methylsulfonylpiperidin-3-yl)-1,3-benzodioxole-5-carboxamide
SMILESCS(=O)(=O)N1CCCC(NC(=O)c2cc3c(cc2O)OCO3)C1
InChIInChI=1S/C14H18N2O6S/c1-23(19,20)16-4-2-3-9(7-16)15-14(18)10-5-12-13(6-11(10)17)22-8-21-12/h5-6,9,17H,2-4,7-8H2,1H3,(H,15,18)
InChIKeyJEGYFAQYXKTKHU-UHFFFAOYSA-N
XLogP0.27
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1,3-benzodioxol-5-yl)-3-[(3R)-1-methylsulfonylpiperidin-3-yl]urea
CID 94779230
N-(1-methylsulfonylpyrrolidin-3-yl)-1,3-benzodioxole-5-carboxamide
CID 110866984
2,3-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)benzamide
CID 47910133
4-[(1-methylsulfonylpiperidin-3-yl)carbamoyl]benzoic acid
CID 119182615
1-cyclohexyl-2,5-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)pyrrole-3-carboxamide
CID 47909167
5-bromo-2-fluoro-N-(1-methylsulfonylpiperidin-3-yl)benzamide
CID 47909698
4-methyl-N-(1-methylsulfonylpiperidin-3-yl)benzamide
CID 47910179
1-methyl-N-(1-methylsulfonylpiperidin-3-yl)-2-oxopyridine-3-carboxamide
CID 146086459
5-[(1-methylsulfonylpiperidin-3-yl)carbamoyl]thiophene-2-carboxylic acid
CID 119182612
1-cyclopropyl-3-[(3R)-1-methylsulfonylpiperidin-3-yl]urea
CID 94211342
N-(1-methylsulfonylpiperidin-3-yl)thiadiazole-4-carboxamide
CID 47403736
5-bromo-N-(1-methylsulfonylpiperidin-3-yl)thiophene-2-carboxamide
CID 47909931

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-N-(1-methylsulfonylpiperidin-3-yl)-1,3-benzodioxole-5-carboxamide?
The IUPAC name of 6-hydroxy-N-(1-methylsulfonylpiperidin-3-yl)-1,3-benzodioxole-5-carboxamide (CID 49081677) is 6-hydroxy-N-(1-methylsulfonylpiperidin-3-yl)-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for 6-hydroxy-N-(1-methylsulfonylpiperidin-3-yl)-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for 6-hydroxy-N-(1-methylsulfonylpiperidin-3-yl)-1,3-benzodioxole-5-carboxamide is CS(=O)(=O)N1CCCC(NC(=O)c2cc3c(cc2O)OCO3)C1.
What is the InChIKey of 6-hydroxy-N-(1-methylsulfonylpiperidin-3-yl)-1,3-benzodioxole-5-carboxamide?
The InChIKey is JEGYFAQYXKTKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O6S/c1-23(19,20)16-4-2-3-9(7-16)15-14(18)10-5-12-13(6-11(10)17)22-8-21-12/h5-6,9,17H,2-4,7-8H2,1H3,(H,15,18).
What are the key properties of 6-hydroxy-N-(1-methylsulfonylpiperidin-3-yl)-1,3-benzodioxole-5-carboxamide?
6-hydroxy-N-(1-methylsulfonylpiperidin-3-yl)-1,3-benzodioxole-5-carboxamide has a molecular weight of 342.37 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-N-(1-methylsulfonylpiperidin-3-yl)-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 49081677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).