3-chloro-N-methyl-5-(3-methylthiomorpholin-4-yl)sulfonylpyridin-2-amine

C11H16ClN3O2S2 — CID 64600747

IUPAC3-chloro-N-methyl-5-(3-methylthiomorpholin-4-yl)sulfonylpyridin-2-amine
SMILESCNc1ncc(S(=O)(=O)N2CCSCC2C)cc1Cl
InChIInChI=1S/C11H16ClN3O2S2/c1-8-7-18-4-3-15(8)19(16,17)9-5-10(12)11(13-2)14-6-9/h5-6,8H,3-4,7H2,1-2H3,(H,13,14)
InChIKeyWZMPWNPHTGYIJO-UHFFFAOYSA-N
MW321.86 g/mol
LogP1.90
Rot. Bonds3

About 3-chloro-N-methyl-5-(3-methylthiomorpholin-4-yl)sulfonylpyridin-2-amine

3-chloro-N-methyl-5-(3-methylthiomorpholin-4-yl)sulfonylpyridin-2-amine (PubChem CID 64600747) has the molecular formula C11H16ClN3O2S2 and a molecular weight of 321.86 g/mol. Its IUPAC name is 3-chloro-N-methyl-5-(3-methylthiomorpholin-4-yl)sulfonylpyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-methyl-5-(3-methylthiomorpholin-4-yl)sulfonylpyridin-2-amine
PubChem CID64600747
Molecular FormulaC11H16ClN3O2S2
Molecular Weight321.86 g/mol
Exact Mass321.04
IUPAC Name3-chloro-N-methyl-5-(3-methylthiomorpholin-4-yl)sulfonylpyridin-2-amine
SMILESCNc1ncc(S(=O)(=O)N2CCSCC2C)cc1Cl
InChIInChI=1S/C11H16ClN3O2S2/c1-8-7-18-4-3-15(8)19(16,17)9-5-10(12)11(13-2)14-6-9/h5-6,8H,3-4,7H2,1-2H3,(H,13,14)
InChIKeyWZMPWNPHTGYIJO-UHFFFAOYSA-N
XLogP1.90
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.86
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-5-(2,4-dimethylpiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine
CID 64602085
3-chloro-N-methyl-5-(2-methylpyrrolidin-1-yl)sulfonylpyridin-2-amine
CID 64608492
3-chloro-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine
CID 64608504
2-chloro-4-(3-methylthiomorpholin-4-yl)sulfonylbenzonitrile
CID 112692419
3-chloro-5-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-N-methylpyridin-2-amine
CID 64602625
3-chloro-5-(4-methoxypiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine
CID 64608915
3-chloro-N-methyl-5-(4-propan-2-ylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 64602429
3-chloro-N-methyl-5-(4-propylpiperidin-1-yl)sulfonylpyridin-2-amine
CID 64601309
5-(3-methylthiomorpholin-4-yl)sulfonylpyridine-2-carbonitrile
CID 113239652
3-fluoro-2-methyl-5-(3-methylthiomorpholin-4-yl)sulfonylaniline
CID 116791900
5-chloro-N,N-dimethyl-6-(methylamino)pyridine-3-sulfonamide
CID 64607736
3-chloro-5-(3-ethoxypiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine
CID 64600339

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methyl-5-(3-methylthiomorpholin-4-yl)sulfonylpyridin-2-amine?
The IUPAC name of 3-chloro-N-methyl-5-(3-methylthiomorpholin-4-yl)sulfonylpyridin-2-amine (CID 64600747) is 3-chloro-N-methyl-5-(3-methylthiomorpholin-4-yl)sulfonylpyridin-2-amine.
What is the SMILES notation for 3-chloro-N-methyl-5-(3-methylthiomorpholin-4-yl)sulfonylpyridin-2-amine?
The canonical SMILES for 3-chloro-N-methyl-5-(3-methylthiomorpholin-4-yl)sulfonylpyridin-2-amine is CNc1ncc(S(=O)(=O)N2CCSCC2C)cc1Cl.
What is the InChIKey of 3-chloro-N-methyl-5-(3-methylthiomorpholin-4-yl)sulfonylpyridin-2-amine?
The InChIKey is WZMPWNPHTGYIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2S2/c1-8-7-18-4-3-15(8)19(16,17)9-5-10(12)11(13-2)14-6-9/h5-6,8H,3-4,7H2,1-2H3,(H,13,14).
What are the key properties of 3-chloro-N-methyl-5-(3-methylthiomorpholin-4-yl)sulfonylpyridin-2-amine?
3-chloro-N-methyl-5-(3-methylthiomorpholin-4-yl)sulfonylpyridin-2-amine has a molecular weight of 321.86 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methyl-5-(3-methylthiomorpholin-4-yl)sulfonylpyridin-2-amine is sourced from PubChem (CID 64600747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).