2-[2-(methylamino)-2-oxoethyl]sulfinylbenzoic acid

C10H11NO4S — CID 60983630

IUPAC2-[2-(methylamino)-2-oxoethyl]sulfinylbenzoic acid
SMILESCNC(=O)CS(=O)c1ccccc1C(=O)O
InChIInChI=1S/C10H11NO4S/c1-11-9(12)6-16(15)8-5-3-2-4-7(8)10(13)14/h2-5H,6H2,1H3,(H,11,12)(H,13,14)
InChIKeyUKVJCXVXFIQQHL-UHFFFAOYSA-N
MW241.27 g/mol
LogP0.24
Rot. Bonds4

About 2-[2-(methylamino)-2-oxoethyl]sulfinylbenzoic acid

2-[2-(methylamino)-2-oxoethyl]sulfinylbenzoic acid (PubChem CID 60983630) has the molecular formula C10H11NO4S and a molecular weight of 241.27 g/mol. Its IUPAC name is 2-[2-(methylamino)-2-oxoethyl]sulfinylbenzoic acid.

Molecular Properties

Compound Name2-[2-(methylamino)-2-oxoethyl]sulfinylbenzoic acid
PubChem CID60983630
Molecular FormulaC10H11NO4S
Molecular Weight241.27 g/mol
Exact Mass241.04
IUPAC Name2-[2-(methylamino)-2-oxoethyl]sulfinylbenzoic acid
SMILESCNC(=O)CS(=O)c1ccccc1C(=O)O
InChIInChI=1S/C10H11NO4S/c1-11-9(12)6-16(15)8-5-3-2-4-7(8)10(13)14/h2-5H,6H2,1H3,(H,11,12)(H,13,14)
InChIKeyUKVJCXVXFIQQHL-UHFFFAOYSA-N
XLogP0.24
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-(methylamino)-2-oxoethyl]sulfinylbenzoic acid 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

2-[(S)-butylsulfinyl]benzoic acid
CID 11009661
2-(ethoxymethylsulfinyl)benzoic acid
CID 65369158
2-(2-carboxyphenyl)sulfinylbenzoic acid;manganese
CID 67782178
2-methoxysulfinylbenzoic acid
CID 19855526
2-(4-phenylbutylsulfinyl)benzoic acid
CID 114334376
2-[(4-fluorophenyl)methylsulfinyl]benzoic acid
CID 54883693
2-[[[3-(methylamino)-3-oxopropyl]amino]methyl]benzoic acid
CID 103245961
CID 66717184
CID 66717184
2-[1-(2-carboxyphenyl)sulfinylethenylsulfinyl]benzoic acid
CID 87961640
2-[(3-methoxyphenyl)methylsulfinyl]benzoic acid
CID 60982128
2-[(S)-[2-(acetamidomethyl)phenyl]sulfinyl]benzoic acid
CID 11859455
2-[(R)-2-morpholin-4-ylethylsulfinyl]benzoic acid
CID 92966056

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylamino)-2-oxoethyl]sulfinylbenzoic acid?
The IUPAC name of 2-[2-(methylamino)-2-oxoethyl]sulfinylbenzoic acid (CID 60983630) is 2-[2-(methylamino)-2-oxoethyl]sulfinylbenzoic acid.
What is the SMILES notation for 2-[2-(methylamino)-2-oxoethyl]sulfinylbenzoic acid?
The canonical SMILES for 2-[2-(methylamino)-2-oxoethyl]sulfinylbenzoic acid is CNC(=O)CS(=O)c1ccccc1C(=O)O.
What is the InChIKey of 2-[2-(methylamino)-2-oxoethyl]sulfinylbenzoic acid?
The InChIKey is UKVJCXVXFIQQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4S/c1-11-9(12)6-16(15)8-5-3-2-4-7(8)10(13)14/h2-5H,6H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 2-[2-(methylamino)-2-oxoethyl]sulfinylbenzoic acid?
2-[2-(methylamino)-2-oxoethyl]sulfinylbenzoic acid has a molecular weight of 241.27 g/mol, XLogP of 0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylamino)-2-oxoethyl]sulfinylbenzoic acid is sourced from PubChem (CID 60983630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).