3-chloro-N-methyl-5-(4-propylpiperidin-1-yl)sulfonylpyridin-2-amine

C14H22ClN3O2S — CID 64601309

IUPAC3-chloro-N-methyl-5-(4-propylpiperidin-1-yl)sulfonylpyridin-2-amine
SMILESCCCC1CCN(S(=O)(=O)c2cnc(NC)c(Cl)c2)CC1
InChIInChI=1S/C14H22ClN3O2S/c1-3-4-11-5-7-18(8-6-11)21(19,20)12-9-13(15)14(16-2)17-10-12/h9-11H,3-8H2,1-2H3,(H,16,17)
InChIKeyDDHOODGKXCGGMF-UHFFFAOYSA-N
MW331.87 g/mol
LogP2.98
Rot. Bonds5

About 3-chloro-N-methyl-5-(4-propylpiperidin-1-yl)sulfonylpyridin-2-amine

3-chloro-N-methyl-5-(4-propylpiperidin-1-yl)sulfonylpyridin-2-amine (PubChem CID 64601309) has the molecular formula C14H22ClN3O2S and a molecular weight of 331.87 g/mol. Its IUPAC name is 3-chloro-N-methyl-5-(4-propylpiperidin-1-yl)sulfonylpyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-methyl-5-(4-propylpiperidin-1-yl)sulfonylpyridin-2-amine
PubChem CID64601309
Molecular FormulaC14H22ClN3O2S
Molecular Weight331.87 g/mol
Exact Mass331.11
IUPAC Name3-chloro-N-methyl-5-(4-propylpiperidin-1-yl)sulfonylpyridin-2-amine
SMILESCCCC1CCN(S(=O)(=O)c2cnc(NC)c(Cl)c2)CC1
InChIInChI=1S/C14H22ClN3O2S/c1-3-4-11-5-7-18(8-6-11)21(19,20)12-9-13(15)14(16-2)17-10-12/h9-11H,3-8H2,1-2H3,(H,16,17)
InChIKeyDDHOODGKXCGGMF-UHFFFAOYSA-N
XLogP2.98
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.87
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-5-(4-methoxypiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine
CID 64608915
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
1-[[5-chloro-6-(propylamino)-3-pyridinyl]sulfonyl]piperidin-4-ol
CID 64608688
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
[1-[[5-chloro-6-(propylamino)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]methanol
CID 115966945
5-(4-propylpiperidin-1-yl)sulfonylpyrimidin-2-amine
CID 55050229
3-chloro-N-methyl-5-(2-methylpyrrolidin-1-yl)sulfonylpyridin-2-amine
CID 64608492
5-chloro-N-(2-cyclopentylethyl)-6-(methylamino)pyridine-3-sulfonamide
CID 64600883
3-chloro-5-(2,4-dimethylpiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine
CID 64602085
3-chloro-N-ethyl-5-(3-ethylpiperidin-1-yl)sulfonylpyridin-2-amine
CID 64602239

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methyl-5-(4-propylpiperidin-1-yl)sulfonylpyridin-2-amine?
The IUPAC name of 3-chloro-N-methyl-5-(4-propylpiperidin-1-yl)sulfonylpyridin-2-amine (CID 64601309) is 3-chloro-N-methyl-5-(4-propylpiperidin-1-yl)sulfonylpyridin-2-amine.
What is the SMILES notation for 3-chloro-N-methyl-5-(4-propylpiperidin-1-yl)sulfonylpyridin-2-amine?
The canonical SMILES for 3-chloro-N-methyl-5-(4-propylpiperidin-1-yl)sulfonylpyridin-2-amine is CCCC1CCN(S(=O)(=O)c2cnc(NC)c(Cl)c2)CC1.
What is the InChIKey of 3-chloro-N-methyl-5-(4-propylpiperidin-1-yl)sulfonylpyridin-2-amine?
The InChIKey is DDHOODGKXCGGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O2S/c1-3-4-11-5-7-18(8-6-11)21(19,20)12-9-13(15)14(16-2)17-10-12/h9-11H,3-8H2,1-2H3,(H,16,17).
What are the key properties of 3-chloro-N-methyl-5-(4-propylpiperidin-1-yl)sulfonylpyridin-2-amine?
3-chloro-N-methyl-5-(4-propylpiperidin-1-yl)sulfonylpyridin-2-amine has a molecular weight of 331.87 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methyl-5-(4-propylpiperidin-1-yl)sulfonylpyridin-2-amine is sourced from PubChem (CID 64601309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).