2-[methyl(thiolan-3-yl)amino]pyridine-3-carboxylic acid

C11H14N2O2S — CID 43296968

IUPAC2-[methyl(thiolan-3-yl)amino]pyridine-3-carboxylic acid
SMILESCN(c1ncccc1C(=O)O)C1CCSC1
InChIInChI=1S/C11H14N2O2S/c1-13(8-4-6-16-7-8)10-9(11(14)15)3-2-5-12-10/h2-3,5,8H,4,6-7H2,1H3,(H,14,15)
InChIKeyJEJVGYUPYUVDSP-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.72
Rot. Bonds3

About 2-[methyl(thiolan-3-yl)amino]pyridine-3-carboxylic acid

2-[methyl(thiolan-3-yl)amino]pyridine-3-carboxylic acid (PubChem CID 43296968) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is 2-[methyl(thiolan-3-yl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[methyl(thiolan-3-yl)amino]pyridine-3-carboxylic acid
PubChem CID43296968
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC Name2-[methyl(thiolan-3-yl)amino]pyridine-3-carboxylic acid
SMILESCN(c1ncccc1C(=O)O)C1CCSC1
InChIInChI=1S/C11H14N2O2S/c1-13(8-4-6-16-7-8)10-9(11(14)15)3-2-5-12-10/h2-3,5,8H,4,6-7H2,1H3,(H,14,15)
InChIKeyJEJVGYUPYUVDSP-UHFFFAOYSA-N
XLogP1.72
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl(thiolan-3-yl)amino]pyridine-3-carboximidamide
CID 43296742
2-[methyl(thiolan-3-yl)carbamoyl]benzoic acid
CID 43296386
2-[cyclopentyl(methyl)amino]pyridine-3-carboxamide
CID 67508458
2-(N-methylanilino)pyridine-3-carboxylic acid
CID 139145304
2-[carboxy(methyl)amino]pyridine-3-carboxylic acid
CID 67307021
2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxylic acid
CID 124680761
3-amino-N-methyl-N-(thiolan-3-yl)pyridine-2-sulfonamide
CID 103304503
2-amino-3-[methyl(thiolan-3-yl)amino]benzamide
CID 115544771
2-[cyclobutyl(3-hydroxypropyl)amino]pyridine-3-carboxylic acid
CID 102863145
4-(chloromethyl)-3-fluoro-N-methyl-N-(thiolan-3-yl)pyridin-2-amine
CID 105383478
2-[4-(dimethylamino)piperidine-1-carbonyl]pyridine-3-carboxylic acid
CID 63615245
methyl 2-[(1-benzylpiperidin-4-yl)-methylamino]pyridine-3-carboxylate
CID 10759534

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(thiolan-3-yl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 2-[methyl(thiolan-3-yl)amino]pyridine-3-carboxylic acid (CID 43296968) is 2-[methyl(thiolan-3-yl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[methyl(thiolan-3-yl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[methyl(thiolan-3-yl)amino]pyridine-3-carboxylic acid is CN(c1ncccc1C(=O)O)C1CCSC1.
What is the InChIKey of 2-[methyl(thiolan-3-yl)amino]pyridine-3-carboxylic acid?
The InChIKey is JEJVGYUPYUVDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c1-13(8-4-6-16-7-8)10-9(11(14)15)3-2-5-12-10/h2-3,5,8H,4,6-7H2,1H3,(H,14,15).
What are the key properties of 2-[methyl(thiolan-3-yl)amino]pyridine-3-carboxylic acid?
2-[methyl(thiolan-3-yl)amino]pyridine-3-carboxylic acid has a molecular weight of 238.31 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(thiolan-3-yl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 43296968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).