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

N-(4-ethylsulfanylbutan-2-yl)-5-methylpyridin-2-amine
CID 115744764
5-chloro-N-(5-methylhexan-2-yl)pyridin-2-amine
CID 63925701
5-chloro-N-(4,4-difluorobutan-2-yl)pyridin-2-amine
CID 130639953
N-(4-ethylsulfanylbutan-2-yl)pyrido[2,3-b]pyrazin-6-amine
CID 113244315
5-chloro-N-hexan-3-ylpyridin-2-amine
CID 62117278
2-[(5-chloro-2-pyridinyl)amino]propane-1,3-diol
CID 65314143
6-chloro-N-(4-ethylsulfanylbutan-2-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 102716219
2-chloro-N-(4-ethylsulfanylbutan-2-yl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562933
5-chloro-4-N-(4-ethylsulfanylbutan-2-yl)pyrimidine-4,6-diamine
CID 106812170
N-(4-ethylsulfanylbutan-2-yl)-6-(trifluoromethyl)pyridin-2-amine
CID 113268493
5-chloro-N-hex-5-yn-3-ylpyridin-2-amine
CID 115658807
5-chloro-N-hex-1-yn-3-ylpyridin-2-amine
CID 106231577

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).