3-chloro-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine

C13H20ClN3O2S — CID 64608504

IUPAC3-chloro-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine
SMILESCNc1ncc(S(=O)(=O)N2CC(C)CC(C)C2)cc1Cl
InChIInChI=1S/C13H20ClN3O2S/c1-9-4-10(2)8-17(7-9)20(18,19)11-5-12(14)13(15-3)16-6-11/h5-6,9-10H,4,7-8H2,1-3H3,(H,15,16)
InChIKeyGHRCMBUHKPIPNP-UHFFFAOYSA-N
MW317.84 g/mol
LogP2.44
Rot. Bonds3

About 3-chloro-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine

3-chloro-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine (PubChem CID 64608504) has the molecular formula C13H20ClN3O2S and a molecular weight of 317.84 g/mol. Its IUPAC name is 3-chloro-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine.

Molecular Properties

Compound Name3-chloro-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine
PubChem CID64608504
Molecular FormulaC13H20ClN3O2S
Molecular Weight317.84 g/mol
Exact Mass317.10
IUPAC Name3-chloro-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine
SMILESCNc1ncc(S(=O)(=O)N2CC(C)CC(C)C2)cc1Cl
InChIInChI=1S/C13H20ClN3O2S/c1-9-4-10(2)8-17(7-9)20(18,19)11-5-12(14)13(15-3)16-6-11/h5-6,9-10H,4,7-8H2,1-3H3,(H,15,16)
InChIKeyGHRCMBUHKPIPNP-UHFFFAOYSA-N
XLogP2.44
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.84
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-methyl-5-(4-propan-2-ylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 64602429
3-chloro-5-(2,4-dimethylpiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine
CID 64602085
[3-chloro-5-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-2-pyridinyl]hydrazine
CID 79180624
3-chloro-5-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-N-methylpyridin-2-amine
CID 64602625
3-chloro-N-methyl-5-(2-methylpyrrolidin-1-yl)sulfonylpyridin-2-amine
CID 64608492
3-chloro-5-(4-methoxypiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine
CID 64608915
3-chloro-N-methyl-5-(3-methylthiomorpholin-4-yl)sulfonylpyridin-2-amine
CID 64600747
3-chloro-N-methyl-5-(4-propylpiperidin-1-yl)sulfonylpyridin-2-amine
CID 64601309
3-chloro-5-(3-ethoxypiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine
CID 64600339
3-chloro-5-(3,4-dimethylpyrrolidin-1-yl)sulfonylpyridin-2-amine
CID 79180594
2,3-dichloro-5-(3-methylpyrrolidin-1-yl)sulfonylpyridine
CID 64608977
4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzenesulfonyl chloride
CID 50987777

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine?
The IUPAC name of 3-chloro-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine (CID 64608504) is 3-chloro-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine.
What is the SMILES notation for 3-chloro-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine?
The canonical SMILES for 3-chloro-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine is CNc1ncc(S(=O)(=O)N2CC(C)CC(C)C2)cc1Cl.
What is the InChIKey of 3-chloro-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine?
The InChIKey is GHRCMBUHKPIPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O2S/c1-9-4-10(2)8-17(7-9)20(18,19)11-5-12(14)13(15-3)16-6-11/h5-6,9-10H,4,7-8H2,1-3H3,(H,15,16).
What are the key properties of 3-chloro-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine?
3-chloro-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine has a molecular weight of 317.84 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine is sourced from PubChem (CID 64608504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).