3-chloro-5-(4-methoxypiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine

C12H18ClN3O3S — CID 64608915

IUPAC3-chloro-5-(4-methoxypiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine
SMILESCNc1ncc(S(=O)(=O)N2CCC(OC)CC2)cc1Cl
InChIInChI=1S/C12H18ClN3O3S/c1-14-12-11(13)7-10(8-15-12)20(17,18)16-5-3-9(19-2)4-6-16/h7-9H,3-6H2,1-2H3,(H,14,15)
InChIKeyMAXVVCVXCOROHB-UHFFFAOYSA-N
MW319.81 g/mol
LogP1.58
Rot. Bonds4

About 3-chloro-5-(4-methoxypiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine

3-chloro-5-(4-methoxypiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine (PubChem CID 64608915) has the molecular formula C12H18ClN3O3S and a molecular weight of 319.81 g/mol. Its IUPAC name is 3-chloro-5-(4-methoxypiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine.

Molecular Properties

Compound Name3-chloro-5-(4-methoxypiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine
PubChem CID64608915
Molecular FormulaC12H18ClN3O3S
Molecular Weight319.81 g/mol
Exact Mass319.08
IUPAC Name3-chloro-5-(4-methoxypiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine
SMILESCNc1ncc(S(=O)(=O)N2CCC(OC)CC2)cc1Cl
InChIInChI=1S/C12H18ClN3O3S/c1-14-12-11(13)7-10(8-15-12)20(17,18)16-5-3-9(19-2)4-6-16/h7-9H,3-6H2,1-2H3,(H,14,15)
InChIKeyMAXVVCVXCOROHB-UHFFFAOYSA-N
XLogP1.58
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.81
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-methyl-5-(4-propylpiperidin-1-yl)sulfonylpyridin-2-amine
CID 64601309
3-chloro-5-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-N-methylpyridin-2-amine
CID 64602625
3-chloro-5-(3-ethoxypiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine
CID 64600339
3-chloro-N-methyl-5-(4-propan-2-ylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 64602429
3-chloro-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine
CID 64608504
3-chloro-N-methyl-5-(2-methylpyrrolidin-1-yl)sulfonylpyridin-2-amine
CID 64608492
3-chloro-5-(2,4-dimethylpiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine
CID 64602085
1-[[5-chloro-6-(propylamino)-3-pyridinyl]sulfonyl]piperidin-4-ol
CID 64608688
3-chloro-N-methyl-5-(3-methylthiomorpholin-4-yl)sulfonylpyridin-2-amine
CID 64600747
[1-[[5-chloro-6-(propylamino)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]methanol
CID 115966945
[3-chloro-5-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-2-pyridinyl]hydrazine
CID 79180624
5-bromo-2-chloro-3-(4-methoxypiperidin-1-yl)sulfonylpyridine
CID 55870113

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(4-methoxypiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine?
The IUPAC name of 3-chloro-5-(4-methoxypiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine (CID 64608915) is 3-chloro-5-(4-methoxypiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine.
What is the SMILES notation for 3-chloro-5-(4-methoxypiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine?
The canonical SMILES for 3-chloro-5-(4-methoxypiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine is CNc1ncc(S(=O)(=O)N2CCC(OC)CC2)cc1Cl.
What is the InChIKey of 3-chloro-5-(4-methoxypiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine?
The InChIKey is MAXVVCVXCOROHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O3S/c1-14-12-11(13)7-10(8-15-12)20(17,18)16-5-3-9(19-2)4-6-16/h7-9H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 3-chloro-5-(4-methoxypiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine?
3-chloro-5-(4-methoxypiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine has a molecular weight of 319.81 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(4-methoxypiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine is sourced from PubChem (CID 64608915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).