3-chloro-N-ethyl-5-(3-ethylpiperidin-1-yl)sulfonylpyridin-2-amine

C14H22ClN3O2S — CID 64602239

IUPAC3-chloro-N-ethyl-5-(3-ethylpiperidin-1-yl)sulfonylpyridin-2-amine
SMILESCCNc1ncc(S(=O)(=O)N2CCCC(CC)C2)cc1Cl
InChIInChI=1S/C14H22ClN3O2S/c1-3-11-6-5-7-18(10-11)21(19,20)12-8-13(15)14(16-4-2)17-9-12/h8-9,11H,3-7,10H2,1-2H3,(H,16,17)
InChIKeyFHWOJKQNBOKHLO-UHFFFAOYSA-N
MW331.87 g/mol
LogP2.98
Rot. Bonds5

About 3-chloro-N-ethyl-5-(3-ethylpiperidin-1-yl)sulfonylpyridin-2-amine

3-chloro-N-ethyl-5-(3-ethylpiperidin-1-yl)sulfonylpyridin-2-amine (PubChem CID 64602239) has the molecular formula C14H22ClN3O2S and a molecular weight of 331.87 g/mol. Its IUPAC name is 3-chloro-N-ethyl-5-(3-ethylpiperidin-1-yl)sulfonylpyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-ethyl-5-(3-ethylpiperidin-1-yl)sulfonylpyridin-2-amine
PubChem CID64602239
Molecular FormulaC14H22ClN3O2S
Molecular Weight331.87 g/mol
Exact Mass331.11
IUPAC Name3-chloro-N-ethyl-5-(3-ethylpiperidin-1-yl)sulfonylpyridin-2-amine
SMILESCCNc1ncc(S(=O)(=O)N2CCCC(CC)C2)cc1Cl
InChIInChI=1S/C14H22ClN3O2S/c1-3-11-6-5-7-18(10-11)21(19,20)12-8-13(15)14(16-4-2)17-9-12/h8-9,11H,3-7,10H2,1-2H3,(H,16,17)
InChIKeyFHWOJKQNBOKHLO-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

[1-[[5-chloro-6-(propylamino)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]methanol
CID 115966945
3-chloro-5-(3,3-dimethylpiperidin-1-yl)sulfonyl-N-ethylpyridin-2-amine
CID 64601331
4-[[5-chloro-6-(ethylamino)-3-pyridinyl]sulfonyl]morpholine-2-carbonitrile
CID 79671468
3-chloro-5-(3-ethoxypiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine
CID 64600339
2-chloro-4-(3-ethylpiperidin-1-yl)sulfonylbenzonitrile
CID 47206307
2-chloro-4-(3-ethylpiperidin-1-yl)sulfonylaniline
CID 115329743
1-[[5-chloro-6-(propylamino)-3-pyridinyl]sulfonyl]piperidin-4-ol
CID 64608688
3-chloro-N-methyl-5-(4-propylpiperidin-1-yl)sulfonylpyridin-2-amine
CID 64601309
2-chloro-5-(3-ethylpiperidin-1-yl)sulfonylbenzonitrile
CID 47304465
[1-[[5-bromo-2-(ethylamino)-3-pyridinyl]sulfonyl]piperidin-3-yl]methanol
CID 62163664
3-chloro-N-ethyl-5-(3-ethylmorpholin-4-yl)sulfonylpyridin-2-amine
CID 64601076
N-ethyl-5-pyrrolidin-1-ylsulfonyl-3-(trifluoromethyl)pyridin-2-amine
CID 136574946

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-ethyl-5-(3-ethylpiperidin-1-yl)sulfonylpyridin-2-amine?
The IUPAC name of 3-chloro-N-ethyl-5-(3-ethylpiperidin-1-yl)sulfonylpyridin-2-amine (CID 64602239) is 3-chloro-N-ethyl-5-(3-ethylpiperidin-1-yl)sulfonylpyridin-2-amine.
What is the SMILES notation for 3-chloro-N-ethyl-5-(3-ethylpiperidin-1-yl)sulfonylpyridin-2-amine?
The canonical SMILES for 3-chloro-N-ethyl-5-(3-ethylpiperidin-1-yl)sulfonylpyridin-2-amine is CCNc1ncc(S(=O)(=O)N2CCCC(CC)C2)cc1Cl.
What is the InChIKey of 3-chloro-N-ethyl-5-(3-ethylpiperidin-1-yl)sulfonylpyridin-2-amine?
The InChIKey is FHWOJKQNBOKHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O2S/c1-3-11-6-5-7-18(10-11)21(19,20)12-8-13(15)14(16-4-2)17-9-12/h8-9,11H,3-7,10H2,1-2H3,(H,16,17).
What are the key properties of 3-chloro-N-ethyl-5-(3-ethylpiperidin-1-yl)sulfonylpyridin-2-amine?
3-chloro-N-ethyl-5-(3-ethylpiperidin-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-ethyl-5-(3-ethylpiperidin-1-yl)sulfonylpyridin-2-amine is sourced from PubChem (CID 64602239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).