2-chloro-N-(1-methylsulfanylbutan-2-yl)pyridin-4-amine

C10H15ClN2S — CID 103912505

IUPAC2-chloro-N-(1-methylsulfanylbutan-2-yl)pyridin-4-amine
SMILESCCC(CSC)Nc1ccnc(Cl)c1
InChIInChI=1S/C10H15ClN2S/c1-3-8(7-14-2)13-9-4-5-12-10(11)6-9/h4-6,8H,3,7H2,1-2H3,(H,12,13)
InChIKeyYQTFYTKANOGVOO-UHFFFAOYSA-N
MW230.76 g/mol
LogP3.29
Rot. Bonds5

About 2-chloro-N-(1-methylsulfanylbutan-2-yl)pyridin-4-amine

2-chloro-N-(1-methylsulfanylbutan-2-yl)pyridin-4-amine (PubChem CID 103912505) has the molecular formula C10H15ClN2S and a molecular weight of 230.76 g/mol. Its IUPAC name is 2-chloro-N-(1-methylsulfanylbutan-2-yl)pyridin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(1-methylsulfanylbutan-2-yl)pyridin-4-amine
PubChem CID103912505
Molecular FormulaC10H15ClN2S
Molecular Weight230.76 g/mol
Exact Mass230.06
IUPAC Name2-chloro-N-(1-methylsulfanylbutan-2-yl)pyridin-4-amine
SMILESCCC(CSC)Nc1ccnc(Cl)c1
InChIInChI=1S/C10H15ClN2S/c1-3-8(7-14-2)13-9-4-5-12-10(11)6-9/h4-6,8H,3,7H2,1-2H3,(H,12,13)
InChIKeyYQTFYTKANOGVOO-UHFFFAOYSA-N
XLogP3.29
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.76
LogP ≤ 53.29
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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-methylsulfanylbutan-2-yl)pyridin-4-amine?
The IUPAC name of 2-chloro-N-(1-methylsulfanylbutan-2-yl)pyridin-4-amine (CID 103912505) is 2-chloro-N-(1-methylsulfanylbutan-2-yl)pyridin-4-amine.
What is the SMILES notation for 2-chloro-N-(1-methylsulfanylbutan-2-yl)pyridin-4-amine?
The canonical SMILES for 2-chloro-N-(1-methylsulfanylbutan-2-yl)pyridin-4-amine is CCC(CSC)Nc1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-(1-methylsulfanylbutan-2-yl)pyridin-4-amine?
The InChIKey is YQTFYTKANOGVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2S/c1-3-8(7-14-2)13-9-4-5-12-10(11)6-9/h4-6,8H,3,7H2,1-2H3,(H,12,13).
What are the key properties of 2-chloro-N-(1-methylsulfanylbutan-2-yl)pyridin-4-amine?
2-chloro-N-(1-methylsulfanylbutan-2-yl)pyridin-4-amine has a molecular weight of 230.76 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-methylsulfanylbutan-2-yl)pyridin-4-amine is sourced from PubChem (CID 103912505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).