4-amino-N-(2-methylsulfonylphenyl)oxolane-3-carboxamide

C12H16N2O4S — CID 66239441

IUPAC4-amino-N-(2-methylsulfonylphenyl)oxolane-3-carboxamide
SMILESCS(=O)(=O)c1ccccc1NC(=O)C1COCC1N
InChIInChI=1S/C12H16N2O4S/c1-19(16,17)11-5-3-2-4-10(11)14-12(15)8-6-18-7-9(8)13/h2-5,8-9H,6-7,13H2,1H3,(H,14,15)
InChIKeyASAVOEHWWXUPQL-UHFFFAOYSA-N
MW284.34 g/mol
LogP0.00
Rot. Bonds3

About 4-amino-N-(2-methylsulfonylphenyl)oxolane-3-carboxamide

4-amino-N-(2-methylsulfonylphenyl)oxolane-3-carboxamide (PubChem CID 66239441) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is 4-amino-N-(2-methylsulfonylphenyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-methylsulfonylphenyl)oxolane-3-carboxamide
PubChem CID66239441
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC Name4-amino-N-(2-methylsulfonylphenyl)oxolane-3-carboxamide
SMILESCS(=O)(=O)c1ccccc1NC(=O)C1COCC1N
InChIInChI=1S/C12H16N2O4S/c1-19(16,17)11-5-3-2-4-10(11)14-12(15)8-6-18-7-9(8)13/h2-5,8-9H,6-7,13H2,1H3,(H,14,15)
InChIKeyASAVOEHWWXUPQL-UHFFFAOYSA-N
XLogP0.00
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(2,3-dimethylphenyl)oxolane-3-carboxamide
CID 66240994
4-amino-N-(2-chloro-3-methylphenyl)oxolane-3-carboxamide
CID 114252127
4-(2-methylsulfonylanilino)oxolane-3-carboxylic acid
CID 66238516
4-amino-N-[2-(trifluoromethylsulfanyl)phenyl]oxolane-3-carboxamide
CID 66239424
4-amino-N-[2-(1,2,4-triazol-1-yl)phenyl]oxolane-3-carboxamide
CID 66240824
4-amino-N-(3-methoxy-2,4-dimethylphenyl)oxolane-3-carboxamide
CID 66239016
4-amino-N-(5-bromo-2-methylphenyl)oxolane-3-carboxamide
CID 66238442
4-amino-N-(2-chloro-5-sulfamoylphenyl)oxolane-3-carboxamide
CID 66239243
4-amino-N-(3-sulfamoylphenyl)oxolane-3-carboxamide
CID 66239997
4-amino-N-[4-(carbamoylamino)phenyl]oxolane-3-carboxamide
CID 66238841
2-amino-2-methyl-N-(2-methylsulfonylphenyl)propanamide
CID 61265607
methyl 2-[(4-aminooxolane-3-carbonyl)amino]-5-methylbenzoate
CID 66240421

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-methylsulfonylphenyl)oxolane-3-carboxamide?
The IUPAC name of 4-amino-N-(2-methylsulfonylphenyl)oxolane-3-carboxamide (CID 66239441) is 4-amino-N-(2-methylsulfonylphenyl)oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-(2-methylsulfonylphenyl)oxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-(2-methylsulfonylphenyl)oxolane-3-carboxamide is CS(=O)(=O)c1ccccc1NC(=O)C1COCC1N.
What is the InChIKey of 4-amino-N-(2-methylsulfonylphenyl)oxolane-3-carboxamide?
The InChIKey is ASAVOEHWWXUPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c1-19(16,17)11-5-3-2-4-10(11)14-12(15)8-6-18-7-9(8)13/h2-5,8-9H,6-7,13H2,1H3,(H,14,15).
What are the key properties of 4-amino-N-(2-methylsulfonylphenyl)oxolane-3-carboxamide?
4-amino-N-(2-methylsulfonylphenyl)oxolane-3-carboxamide has a molecular weight of 284.34 g/mol, XLogP of 0.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-methylsulfonylphenyl)oxolane-3-carboxamide is sourced from PubChem (CID 66239441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).