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

C13H20ClN3O3S — CID 64600339

IUPAC3-chloro-5-(3-ethoxypiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine
SMILESCCOC1CCCN(S(=O)(=O)c2cnc(NC)c(Cl)c2)C1
InChIInChI=1S/C13H20ClN3O3S/c1-3-20-10-5-4-6-17(9-10)21(18,19)11-7-12(14)13(15-2)16-8-11/h7-8,10H,3-6,9H2,1-2H3,(H,15,16)
InChIKeyUBFRHOSGOLQNBY-UHFFFAOYSA-N
MW333.84 g/mol
LogP1.97
Rot. Bonds5

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

3-chloro-5-(3-ethoxypiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine (PubChem CID 64600339) has the molecular formula C13H20ClN3O3S and a molecular weight of 333.84 g/mol. Its IUPAC name is 3-chloro-5-(3-ethoxypiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine.

Molecular Properties

Compound Name3-chloro-5-(3-ethoxypiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine
PubChem CID64600339
Molecular FormulaC13H20ClN3O3S
Molecular Weight333.84 g/mol
Exact Mass333.09
IUPAC Name3-chloro-5-(3-ethoxypiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine
SMILESCCOC1CCCN(S(=O)(=O)c2cnc(NC)c(Cl)c2)C1
InChIInChI=1S/C13H20ClN3O3S/c1-3-20-10-5-4-6-17(9-10)21(18,19)11-7-12(14)13(15-2)16-8-11/h7-8,10H,3-6,9H2,1-2H3,(H,15,16)
InChIKeyUBFRHOSGOLQNBY-UHFFFAOYSA-N
XLogP1.97
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.84
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-chloro-5-(3-ethoxypiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-5-(3-ethoxypiperidin-1-yl)sulfonylpyridin-2-amine
CID 64600145
3-chloro-5-(4-methoxypiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine
CID 64608915
3-chloro-N-methyl-5-(4-propylpiperidin-1-yl)sulfonylpyridin-2-amine
CID 64601309
3-chloro-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine
CID 64608504
3-chloro-N-ethyl-5-(3-ethylpiperidin-1-yl)sulfonylpyridin-2-amine
CID 64602239
5-(3-ethoxypiperidin-1-yl)sulfonyl-N-ethylpyridin-2-amine
CID 62153528
3-chloro-N-methyl-5-(2-methylpyrrolidin-1-yl)sulfonylpyridin-2-amine
CID 64608492
5-(3-propoxypiperidin-1-yl)sulfonylpyrimidin-2-amine
CID 62151741
3-chloro-N-methyl-5-(4-propan-2-ylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 64602429
(3S)-1-[4-(2-bromoethoxy)phenyl]sulfonyl-3-ethoxypiperidine
CID 97339764
5-(3-methoxypiperidin-1-yl)sulfonyl-N-methylpyrimidin-2-amine
CID 102964589
[3-chloro-5-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-2-pyridinyl]hydrazine
CID 79180624

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(3-ethoxypiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine?
The IUPAC name of 3-chloro-5-(3-ethoxypiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine (CID 64600339) is 3-chloro-5-(3-ethoxypiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine.
What is the SMILES notation for 3-chloro-5-(3-ethoxypiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine?
The canonical SMILES for 3-chloro-5-(3-ethoxypiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine is CCOC1CCCN(S(=O)(=O)c2cnc(NC)c(Cl)c2)C1.
What is the InChIKey of 3-chloro-5-(3-ethoxypiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine?
The InChIKey is UBFRHOSGOLQNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O3S/c1-3-20-10-5-4-6-17(9-10)21(18,19)11-7-12(14)13(15-2)16-8-11/h7-8,10H,3-6,9H2,1-2H3,(H,15,16).
What are the key properties of 3-chloro-5-(3-ethoxypiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine?
3-chloro-5-(3-ethoxypiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine has a molecular weight of 333.84 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(3-ethoxypiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine is sourced from PubChem (CID 64600339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).