3-chloro-5-(3-ethoxypiperidin-1-yl)sulfonylpyridin-2-amine

C12H18ClN3O3S — CID 64600145

IUPAC3-chloro-5-(3-ethoxypiperidin-1-yl)sulfonylpyridin-2-amine
SMILESCCOC1CCCN(S(=O)(=O)c2cnc(N)c(Cl)c2)C1
InChIInChI=1S/C12H18ClN3O3S/c1-2-19-9-4-3-5-16(8-9)20(17,18)10-6-11(13)12(14)15-7-10/h6-7,9H,2-5,8H2,1H3,(H2,14,15)
InChIKeyLHFDWWPEWYEEIK-UHFFFAOYSA-N
MW319.81 g/mol
LogP1.51
Rot. Bonds4

About 3-chloro-5-(3-ethoxypiperidin-1-yl)sulfonylpyridin-2-amine

3-chloro-5-(3-ethoxypiperidin-1-yl)sulfonylpyridin-2-amine (PubChem CID 64600145) has the molecular formula C12H18ClN3O3S and a molecular weight of 319.81 g/mol. Its IUPAC name is 3-chloro-5-(3-ethoxypiperidin-1-yl)sulfonylpyridin-2-amine.

Molecular Properties

Compound Name3-chloro-5-(3-ethoxypiperidin-1-yl)sulfonylpyridin-2-amine
PubChem CID64600145
Molecular FormulaC12H18ClN3O3S
Molecular Weight319.81 g/mol
Exact Mass319.08
IUPAC Name3-chloro-5-(3-ethoxypiperidin-1-yl)sulfonylpyridin-2-amine
SMILESCCOC1CCCN(S(=O)(=O)c2cnc(N)c(Cl)c2)C1
InChIInChI=1S/C12H18ClN3O3S/c1-2-19-9-4-3-5-16(8-9)20(17,18)10-6-11(13)12(14)15-7-10/h6-7,9H,2-5,8H2,1H3,(H2,14,15)
InChIKeyLHFDWWPEWYEEIK-UHFFFAOYSA-N
XLogP1.51
TPSA85.52 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 ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
3-chloro-5-(3,4-dimethoxypyrrolidin-1-yl)sulfonylpyridin-2-amine
CID 103538339
5-(3-propoxypiperidin-1-yl)sulfonylpyrimidin-2-amine
CID 62151741
3-chloro-5-(3-ethyl-4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 64600354
5-(3-ethoxypiperidin-1-yl)sulfonyl-N-ethylpyridin-2-amine
CID 62153528
5-(4-tert-butylpiperidin-1-yl)sulfonyl-3-chloropyridin-2-amine
CID 64601666
3-chloro-5-(3,3-dimethylpiperidin-1-yl)sulfonylpyridin-2-amine
CID 64601329
1-(5-bromothiophen-2-yl)sulfonyl-3-ethoxypiperidine
CID 54990170
(3S)-1-[4-(2-bromoethoxy)phenyl]sulfonyl-3-ethoxypiperidine
CID 97339764
2-[4-(3-ethoxypiperidin-1-yl)sulfonylphenyl]acetonitrile
CID 79186274
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-5-(3-ethoxypiperidin-1-yl)sulfonylpyridin-2-amine?
The IUPAC name of 3-chloro-5-(3-ethoxypiperidin-1-yl)sulfonylpyridin-2-amine (CID 64600145) is 3-chloro-5-(3-ethoxypiperidin-1-yl)sulfonylpyridin-2-amine.
What is the SMILES notation for 3-chloro-5-(3-ethoxypiperidin-1-yl)sulfonylpyridin-2-amine?
The canonical SMILES for 3-chloro-5-(3-ethoxypiperidin-1-yl)sulfonylpyridin-2-amine is CCOC1CCCN(S(=O)(=O)c2cnc(N)c(Cl)c2)C1.
What is the InChIKey of 3-chloro-5-(3-ethoxypiperidin-1-yl)sulfonylpyridin-2-amine?
The InChIKey is LHFDWWPEWYEEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O3S/c1-2-19-9-4-3-5-16(8-9)20(17,18)10-6-11(13)12(14)15-7-10/h6-7,9H,2-5,8H2,1H3,(H2,14,15).
What are the key properties of 3-chloro-5-(3-ethoxypiperidin-1-yl)sulfonylpyridin-2-amine?
3-chloro-5-(3-ethoxypiperidin-1-yl)sulfonylpyridin-2-amine has a molecular weight of 319.81 g/mol, XLogP of 1.51, 4 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)sulfonylpyridin-2-amine is sourced from PubChem (CID 64600145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).