5-chloro-N-(4-ethylsulfanylbutan-2-yl)pyridin-2-amine

C11H17ClN2S — CID 115744742

IUPAC5-chloro-N-(4-ethylsulfanylbutan-2-yl)pyridin-2-amine
SMILESCCSCCC(C)Nc1ccc(Cl)cn1
InChIInChI=1S/C11H17ClN2S/c1-3-15-7-6-9(2)14-11-5-4-10(12)8-13-11/h4-5,8-9H,3,6-7H2,1-2H3,(H,13,14)
InChIKeyCRKAFMPEDKLTMT-UHFFFAOYSA-N
MW244.79 g/mol
LogP3.68
Rot. Bonds6

About 5-chloro-N-(4-ethylsulfanylbutan-2-yl)pyridin-2-amine

5-chloro-N-(4-ethylsulfanylbutan-2-yl)pyridin-2-amine (PubChem CID 115744742) has the molecular formula C11H17ClN2S and a molecular weight of 244.79 g/mol. Its IUPAC name is 5-chloro-N-(4-ethylsulfanylbutan-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-(4-ethylsulfanylbutan-2-yl)pyridin-2-amine
PubChem CID115744742
Molecular FormulaC11H17ClN2S
Molecular Weight244.79 g/mol
Exact Mass244.08
IUPAC Name5-chloro-N-(4-ethylsulfanylbutan-2-yl)pyridin-2-amine
SMILESCCSCCC(C)Nc1ccc(Cl)cn1
InChIInChI=1S/C11H17ClN2S/c1-3-15-7-6-9(2)14-11-5-4-10(12)8-13-11/h4-5,8-9H,3,6-7H2,1-2H3,(H,13,14)
InChIKeyCRKAFMPEDKLTMT-UHFFFAOYSA-N
XLogP3.68
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.79
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-Amino-5-chloropyridine
CID 66174
HI-445
CID 3001929
1-(5-Chloropyridin-2-yl)piperazine
CID 3805301
1-(3-Chloropyridin-2-yl)piperazine
CID 11412944
N-(propan-2-yl)pyridin-2-amine
CID 2366450
1-(5-chloro-2-pyridyl)-3-[(1R)-1-cyclohexylethyl]thiourea
CID 3002363
N-(5-chloropyridin-2-yl)-2-[(6-methyl-5-oxo-2H-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 135468959
Urea, 1-(5-chloro-2-pyridyl)-3-methyl-
CID 99418
5-chloro-N-methylpyridin-2-amine
CID 3837024
3,5-dichloro-N-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)pyridin-2-amine;hydrochloride
CID 44523105
5-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)pyridin-2-amine;hydrochloride
CID 118730398
N-(5-chloropyridin-2-yl)-2-[(4-hydroxy-6-methylpyrimidin-2-yl)sulfanyl]acetamide
CID 135473409

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-ethylsulfanylbutan-2-yl)pyridin-2-amine?
The IUPAC name of 5-chloro-N-(4-ethylsulfanylbutan-2-yl)pyridin-2-amine (CID 115744742) is 5-chloro-N-(4-ethylsulfanylbutan-2-yl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-(4-ethylsulfanylbutan-2-yl)pyridin-2-amine?
The canonical SMILES for 5-chloro-N-(4-ethylsulfanylbutan-2-yl)pyridin-2-amine is CCSCCC(C)Nc1ccc(Cl)cn1.
What is the InChIKey of 5-chloro-N-(4-ethylsulfanylbutan-2-yl)pyridin-2-amine?
The InChIKey is CRKAFMPEDKLTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2S/c1-3-15-7-6-9(2)14-11-5-4-10(12)8-13-11/h4-5,8-9H,3,6-7H2,1-2H3,(H,13,14).
What are the key properties of 5-chloro-N-(4-ethylsulfanylbutan-2-yl)pyridin-2-amine?
5-chloro-N-(4-ethylsulfanylbutan-2-yl)pyridin-2-amine has a molecular weight of 244.79 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-ethylsulfanylbutan-2-yl)pyridin-2-amine is sourced from PubChem (CID 115744742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).