5-chloro-2-(3-methylsulfonylthiomorpholin-4-yl)pyridine-4-carboxylic acid

C11H13ClN2O4S2 — CID 114919770

IUPAC5-chloro-2-(3-methylsulfonylthiomorpholin-4-yl)pyridine-4-carboxylic acid
SMILESCS(=O)(=O)C1CSCCN1c1cc(C(=O)O)c(Cl)cn1
InChIInChI=1S/C11H13ClN2O4S2/c1-20(17,18)10-6-19-3-2-14(10)9-4-7(11(15)16)8(12)5-13-9/h4-5,10H,2-3,6H2,1H3,(H,15,16)
InChIKeyVPMLMTNFGMOAKV-UHFFFAOYSA-N
MW336.82 g/mol
LogP1.36
Rot. Bonds3

About 5-chloro-2-(3-methylsulfonylthiomorpholin-4-yl)pyridine-4-carboxylic acid

5-chloro-2-(3-methylsulfonylthiomorpholin-4-yl)pyridine-4-carboxylic acid (PubChem CID 114919770) has the molecular formula C11H13ClN2O4S2 and a molecular weight of 336.82 g/mol. Its IUPAC name is 5-chloro-2-(3-methylsulfonylthiomorpholin-4-yl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-(3-methylsulfonylthiomorpholin-4-yl)pyridine-4-carboxylic acid
PubChem CID114919770
Molecular FormulaC11H13ClN2O4S2
Molecular Weight336.82 g/mol
Exact Mass336.00
IUPAC Name5-chloro-2-(3-methylsulfonylthiomorpholin-4-yl)pyridine-4-carboxylic acid
SMILESCS(=O)(=O)C1CSCCN1c1cc(C(=O)O)c(Cl)cn1
InChIInChI=1S/C11H13ClN2O4S2/c1-20(17,18)10-6-19-3-2-14(10)9-4-7(11(15)16)8(12)5-13-9/h4-5,10H,2-3,6H2,1H3,(H,15,16)
InChIKeyVPMLMTNFGMOAKV-UHFFFAOYSA-N
XLogP1.36
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(6-chloropyrazin-2-yl)-3-methylsulfonylthiomorpholine
CID 66383089
4-amino-2-(3-methylsulfonylthiomorpholin-4-yl)benzoic acid
CID 66382315
5-amino-3-chloro-2-(3-methylsulfonylthiomorpholin-4-yl)benzamide
CID 107196208
3-fluoro-2-(3-methylsulfonylthiomorpholin-4-yl)pyridine-4-carboxylic acid
CID 105382451
4-(2-chloro-4-pyridinyl)-3-methylsulfonylthiomorpholine
CID 102824290
5-(3-methylsulfonylthiomorpholin-4-yl)pyrazine-2-carbonitrile
CID 66383257
3-fluoro-2-(3-methylsulfonylthiomorpholin-4-yl)benzoic acid
CID 66384223
4-chloro-2-(3-methylsulfonylthiomorpholin-4-yl)aniline
CID 113315817
(2,5-dichloro-4-pyridinyl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone
CID 114918642
6-(3-methylsulfonylthiomorpholin-4-yl)pyrazin-2-amine
CID 80648375
1-[2-chloro-4-(3-methylsulfonylthiomorpholin-4-yl)phenyl]ethanol
CID 66382604
4-(6-bromo-2-pyridinyl)-3-methylsulfonylthiomorpholine
CID 66383475

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(3-methylsulfonylthiomorpholin-4-yl)pyridine-4-carboxylic acid?
The IUPAC name of 5-chloro-2-(3-methylsulfonylthiomorpholin-4-yl)pyridine-4-carboxylic acid (CID 114919770) is 5-chloro-2-(3-methylsulfonylthiomorpholin-4-yl)pyridine-4-carboxylic acid.
What is the SMILES notation for 5-chloro-2-(3-methylsulfonylthiomorpholin-4-yl)pyridine-4-carboxylic acid?
The canonical SMILES for 5-chloro-2-(3-methylsulfonylthiomorpholin-4-yl)pyridine-4-carboxylic acid is CS(=O)(=O)C1CSCCN1c1cc(C(=O)O)c(Cl)cn1.
What is the InChIKey of 5-chloro-2-(3-methylsulfonylthiomorpholin-4-yl)pyridine-4-carboxylic acid?
The InChIKey is VPMLMTNFGMOAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O4S2/c1-20(17,18)10-6-19-3-2-14(10)9-4-7(11(15)16)8(12)5-13-9/h4-5,10H,2-3,6H2,1H3,(H,15,16).
What are the key properties of 5-chloro-2-(3-methylsulfonylthiomorpholin-4-yl)pyridine-4-carboxylic acid?
5-chloro-2-(3-methylsulfonylthiomorpholin-4-yl)pyridine-4-carboxylic acid has a molecular weight of 336.82 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(3-methylsulfonylthiomorpholin-4-yl)pyridine-4-carboxylic acid is sourced from PubChem (CID 114919770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).