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

C13H20ClN3O2S — CID 64602085

IUPAC3-chloro-5-(2,4-dimethylpiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine
SMILESCNc1ncc(S(=O)(=O)N2CCC(C)CC2C)cc1Cl
InChIInChI=1S/C13H20ClN3O2S/c1-9-4-5-17(10(2)6-9)20(18,19)11-7-12(14)13(15-3)16-8-11/h7-10H,4-6H2,1-3H3,(H,15,16)
InChIKeyNHIMOHZCWHQDDN-UHFFFAOYSA-N
MW317.84 g/mol
LogP2.59
Rot. Bonds3

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

3-chloro-5-(2,4-dimethylpiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine (PubChem CID 64602085) has the molecular formula C13H20ClN3O2S and a molecular weight of 317.84 g/mol. Its IUPAC name is 3-chloro-5-(2,4-dimethylpiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine.

Molecular Properties

Compound Name3-chloro-5-(2,4-dimethylpiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine
PubChem CID64602085
Molecular FormulaC13H20ClN3O2S
Molecular Weight317.84 g/mol
Exact Mass317.10
IUPAC Name3-chloro-5-(2,4-dimethylpiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine
SMILESCNc1ncc(S(=O)(=O)N2CCC(C)CC2C)cc1Cl
InChIInChI=1S/C13H20ClN3O2S/c1-9-4-5-17(10(2)6-9)20(18,19)11-7-12(14)13(15-3)16-8-11/h7-10H,4-6H2,1-3H3,(H,15,16)
InChIKeyNHIMOHZCWHQDDN-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(2,4-dimethylpiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine?
The IUPAC name of 3-chloro-5-(2,4-dimethylpiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine (CID 64602085) is 3-chloro-5-(2,4-dimethylpiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine.
What is the SMILES notation for 3-chloro-5-(2,4-dimethylpiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine?
The canonical SMILES for 3-chloro-5-(2,4-dimethylpiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine is CNc1ncc(S(=O)(=O)N2CCC(C)CC2C)cc1Cl.
What is the InChIKey of 3-chloro-5-(2,4-dimethylpiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine?
The InChIKey is NHIMOHZCWHQDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O2S/c1-9-4-5-17(10(2)6-9)20(18,19)11-7-12(14)13(15-3)16-8-11/h7-10H,4-6H2,1-3H3,(H,15,16).
What are the key properties of 3-chloro-5-(2,4-dimethylpiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine?
3-chloro-5-(2,4-dimethylpiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine has a molecular weight of 317.84 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(2,4-dimethylpiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine is sourced from PubChem (CID 64602085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).