2-chloro-N-(2-ethylsulfanylcyclopentyl)pyridin-4-amine

C12H17ClN2S — CID 103804841

IUPAC2-chloro-N-(2-ethylsulfanylcyclopentyl)pyridin-4-amine
SMILESCCSC1CCCC1Nc1ccnc(Cl)c1
InChIInChI=1S/C12H17ClN2S/c1-2-16-11-5-3-4-10(11)15-9-6-7-14-12(13)8-9/h6-8,10-11H,2-5H2,1H3,(H,14,15)
InChIKeyXGGSHNFOIWDFIB-UHFFFAOYSA-N
MW256.80 g/mol
LogP3.82
Rot. Bonds4

About 2-chloro-N-(2-ethylsulfanylcyclopentyl)pyridin-4-amine

2-chloro-N-(2-ethylsulfanylcyclopentyl)pyridin-4-amine (PubChem CID 103804841) has the molecular formula C12H17ClN2S and a molecular weight of 256.80 g/mol. Its IUPAC name is 2-chloro-N-(2-ethylsulfanylcyclopentyl)pyridin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(2-ethylsulfanylcyclopentyl)pyridin-4-amine
PubChem CID103804841
Molecular FormulaC12H17ClN2S
Molecular Weight256.80 g/mol
Exact Mass256.08
IUPAC Name2-chloro-N-(2-ethylsulfanylcyclopentyl)pyridin-4-amine
SMILESCCSC1CCCC1Nc1ccnc(Cl)c1
InChIInChI=1S/C12H17ClN2S/c1-2-16-11-5-3-4-10(11)15-9-6-7-14-12(13)8-9/h6-8,10-11H,2-5H2,1H3,(H,14,15)
InChIKeyXGGSHNFOIWDFIB-UHFFFAOYSA-N
XLogP3.82
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.80
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(2-methylcycloheptyl)pyridin-4-amine
CID 102824270
trans-(1S,2S)-2-[(2-chloro-4-pyridinyl)amino]cyclohexan-1-ol
CID 133495254
N-(2-bicyclo[4.1.0]heptanyl)-2-chloropyridin-4-amine
CID 164655530
N-(2-ethylsulfanylcyclopentyl)-4-methylpyrimidin-2-amine
CID 103725083
4-N-(2-ethylsulfanylcyclopentyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 103725102
2-chloro-N-[(2R,3R)-2-methyloxolan-3-yl]pyridin-4-amine
CID 130671043
N-(2-ethylsulfanylcyclopentyl)-5-methylpyrimidin-2-amine
CID 103858190
5-[(2-ethylsulfanylcyclopentyl)amino]pyridine-2-carbothioamide
CID 114121610
2-methyl-N-(2-methylsulfanylcyclohexyl)pyridin-4-amine
CID 104924401
4-N-(2-ethylsulfanylcyclopentyl)pyrimidine-2,4,6-triamine
CID 114122138
N-ethyl-4-[(2-methylsulfanylcyclopentyl)amino]pyridine-2-carboxamide
CID 103704015
6-chloro-N-(2-ethylsulfanylcyclopentyl)-4,5-dimethylpyridazin-3-amine
CID 114121957

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-ethylsulfanylcyclopentyl)pyridin-4-amine?
The IUPAC name of 2-chloro-N-(2-ethylsulfanylcyclopentyl)pyridin-4-amine (CID 103804841) is 2-chloro-N-(2-ethylsulfanylcyclopentyl)pyridin-4-amine.
What is the SMILES notation for 2-chloro-N-(2-ethylsulfanylcyclopentyl)pyridin-4-amine?
The canonical SMILES for 2-chloro-N-(2-ethylsulfanylcyclopentyl)pyridin-4-amine is CCSC1CCCC1Nc1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-(2-ethylsulfanylcyclopentyl)pyridin-4-amine?
The InChIKey is XGGSHNFOIWDFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2S/c1-2-16-11-5-3-4-10(11)15-9-6-7-14-12(13)8-9/h6-8,10-11H,2-5H2,1H3,(H,14,15).
What are the key properties of 2-chloro-N-(2-ethylsulfanylcyclopentyl)pyridin-4-amine?
2-chloro-N-(2-ethylsulfanylcyclopentyl)pyridin-4-amine has a molecular weight of 256.80 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-ethylsulfanylcyclopentyl)pyridin-4-amine is sourced from PubChem (CID 103804841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).