2-[methyl-(2-piperidin-4-ylsulfanylacetyl)amino]benzoic acid

C15H20N2O3S — CID 114627152

IUPAC2-[methyl-(2-piperidin-4-ylsulfanylacetyl)amino]benzoic acid
SMILESCN(C(=O)CSC1CCNCC1)c1ccccc1C(=O)O
InChIInChI=1S/C15H20N2O3S/c1-17(13-5-3-2-4-12(13)15(19)20)14(18)10-21-11-6-8-16-9-7-11/h2-5,11,16H,6-10H2,1H3,(H,19,20)
InChIKeySUJOOXSCMNVEEC-UHFFFAOYSA-N
MW308.40 g/mol
LogP1.83
Rot. Bonds5

About 2-[methyl-(2-piperidin-4-ylsulfanylacetyl)amino]benzoic acid

2-[methyl-(2-piperidin-4-ylsulfanylacetyl)amino]benzoic acid (PubChem CID 114627152) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 2-[methyl-(2-piperidin-4-ylsulfanylacetyl)amino]benzoic acid.

Molecular Properties

Compound Name2-[methyl-(2-piperidin-4-ylsulfanylacetyl)amino]benzoic acid
PubChem CID114627152
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name2-[methyl-(2-piperidin-4-ylsulfanylacetyl)amino]benzoic acid
SMILESCN(C(=O)CSC1CCNCC1)c1ccccc1C(=O)O
InChIInChI=1S/C15H20N2O3S/c1-17(13-5-3-2-4-12(13)15(19)20)14(18)10-21-11-6-8-16-9-7-11/h2-5,11,16H,6-10H2,1H3,(H,19,20)
InChIKeySUJOOXSCMNVEEC-UHFFFAOYSA-N
XLogP1.83
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[methyl-(2-piperidin-4-ylsulfanylacetyl)amino]benzoic 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-[methyl-(2-piperazin-1-ylacetyl)amino]benzoic acid
CID 61158983
N-methyl-2-piperidin-4-ylsulfanyl-N-pyridin-2-ylacetamide
CID 114626507
N-methyl-N-(2-phenylethyl)-2-piperidin-4-ylsulfanylacetamide
CID 114627017
2-[[2-(1,4-diazepan-1-yl)acetyl]-methylamino]benzoic acid
CID 62839047
N-benzyl-2-piperidin-4-ylsulfanyl-N-propylacetamide
CID 114626653
2-[carboxy(methyl)amino]benzoic acid
CID 54515351
2-[3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl(methyl)amino]benzoic acid
CID 115560837
N-benzyl-N-(cyanomethyl)-2-piperidin-4-ylsulfanylacetamide
CID 114627134
2-[[2-(2-hydroxyphenyl)acetyl]-methylamino]benzoic acid
CID 80743167
2-[(4,4-dimethylpiperidine-1-carbonyl)-methylamino]benzoic acid
CID 62932565
N-methyl-2-[(2-piperidin-4-ylsulfanylacetyl)amino]benzamide
CID 114626484
2-[(3-amino-3-methylbutanoyl)-methylamino]benzoic acid
CID 64677769

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(2-piperidin-4-ylsulfanylacetyl)amino]benzoic acid?
The IUPAC name of 2-[methyl-(2-piperidin-4-ylsulfanylacetyl)amino]benzoic acid (CID 114627152) is 2-[methyl-(2-piperidin-4-ylsulfanylacetyl)amino]benzoic acid.
What is the SMILES notation for 2-[methyl-(2-piperidin-4-ylsulfanylacetyl)amino]benzoic acid?
The canonical SMILES for 2-[methyl-(2-piperidin-4-ylsulfanylacetyl)amino]benzoic acid is CN(C(=O)CSC1CCNCC1)c1ccccc1C(=O)O.
What is the InChIKey of 2-[methyl-(2-piperidin-4-ylsulfanylacetyl)amino]benzoic acid?
The InChIKey is SUJOOXSCMNVEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-17(13-5-3-2-4-12(13)15(19)20)14(18)10-21-11-6-8-16-9-7-11/h2-5,11,16H,6-10H2,1H3,(H,19,20).
What are the key properties of 2-[methyl-(2-piperidin-4-ylsulfanylacetyl)amino]benzoic acid?
2-[methyl-(2-piperidin-4-ylsulfanylacetyl)amino]benzoic acid has a molecular weight of 308.40 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(2-piperidin-4-ylsulfanylacetyl)amino]benzoic acid is sourced from PubChem (CID 114627152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).