2-[(3-chloro-2-pyridinyl)sulfanyl]-N-ethylcyclohexan-1-amine

C13H19ClN2S — CID 64631481

IUPAC2-[(3-chloro-2-pyridinyl)sulfanyl]-N-ethylcyclohexan-1-amine
SMILESCCNC1CCCCC1Sc1ncccc1Cl
InChIInChI=1S/C13H19ClN2S/c1-2-15-11-7-3-4-8-12(11)17-13-10(14)6-5-9-16-13/h5-6,9,11-12,15H,2-4,7-8H2,1H3
InChIKeyXNMMKRYITZQSIO-UHFFFAOYSA-N
MW270.83 g/mol
LogP3.75
Rot. Bonds4

About 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-ethylcyclohexan-1-amine

2-[(3-chloro-2-pyridinyl)sulfanyl]-N-ethylcyclohexan-1-amine (PubChem CID 64631481) has the molecular formula C13H19ClN2S and a molecular weight of 270.83 g/mol. Its IUPAC name is 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-ethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(3-chloro-2-pyridinyl)sulfanyl]-N-ethylcyclohexan-1-amine
PubChem CID64631481
Molecular FormulaC13H19ClN2S
Molecular Weight270.83 g/mol
Exact Mass270.10
IUPAC Name2-[(3-chloro-2-pyridinyl)sulfanyl]-N-ethylcyclohexan-1-amine
SMILESCCNC1CCCCC1Sc1ncccc1Cl
InChIInChI=1S/C13H19ClN2S/c1-2-15-11-7-3-4-8-12(11)17-13-10(14)6-5-9-16-13/h5-6,9,11-12,15H,2-4,7-8H2,1H3
InChIKeyXNMMKRYITZQSIO-UHFFFAOYSA-N
XLogP3.75
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.83
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-chloro-2-pyridinyl)sulfanyl]-N-propylcyclopentan-1-amine
CID 64629057
2-[(3-chloro-2-pyridinyl)sulfanyl]-N-ethyl-4-propylcyclohexan-1-amine
CID 64629453
N-ethyl-2-pyridin-2-ylsulfanylcyclohexan-1-amine
CID 64649496
N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)cyclohexan-1-amine
CID 106927228
N-ethyl-2-(1H-imidazol-2-ylsulfanyl)cyclooctan-1-amine
CID 107783899
N-ethyl-2-(4-methylphenyl)sulfanylcyclohexan-1-amine
CID 64619864
2-[(3-bromo-2-pyridinyl)sulfanyl]-4-tert-butyl-N-ethylcyclohexan-1-amine
CID 64631848
N-ethyl-2-(4-fluorophenyl)sulfanylcyclooctan-1-amine
CID 64620707
N-ethyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)cyclooctan-1-amine
CID 64620816
2-[(3-chloro-2-pyridinyl)sulfanyl]-4-methylcyclohexan-1-amine
CID 64630059
N-ethyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]cyclohexan-1-amine
CID 64621703
2-(3,4-dimethylphenyl)sulfanyl-N-ethylcyclohexan-1-amine
CID 64649741

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-ethylcyclohexan-1-amine?
The IUPAC name of 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-ethylcyclohexan-1-amine (CID 64631481) is 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-ethylcyclohexan-1-amine.
What is the SMILES notation for 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-ethylcyclohexan-1-amine?
The canonical SMILES for 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-ethylcyclohexan-1-amine is CCNC1CCCCC1Sc1ncccc1Cl.
What is the InChIKey of 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-ethylcyclohexan-1-amine?
The InChIKey is XNMMKRYITZQSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2S/c1-2-15-11-7-3-4-8-12(11)17-13-10(14)6-5-9-16-13/h5-6,9,11-12,15H,2-4,7-8H2,1H3.
What are the key properties of 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-ethylcyclohexan-1-amine?
2-[(3-chloro-2-pyridinyl)sulfanyl]-N-ethylcyclohexan-1-amine has a molecular weight of 270.83 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-ethylcyclohexan-1-amine is sourced from PubChem (CID 64631481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).