N-methyl-3-(2-methylpropylsulfanyl)pyridin-2-amine;hydrochloride

C10H17ClN2S — CID 175185543

IUPACN-methyl-3-(2-methylpropylsulfanyl)pyridin-2-amine;hydrochloride
SMILESCNc1ncccc1SCC(C)C.Cl
InChIInChI=1S/C10H16N2S.ClH/c1-8(2)7-13-9-5-4-6-12-10(9)11-3;/h4-6,8H,7H2,1-3H3,(H,11,12);1H
InChIKeyUYZJZZHUJAPEQC-UHFFFAOYSA-N
MW232.78 g/mol
LogP3.29
Rot. Bonds4

About N-methyl-3-(2-methylpropylsulfanyl)pyridin-2-amine;hydrochloride

N-methyl-3-(2-methylpropylsulfanyl)pyridin-2-amine;hydrochloride (PubChem CID 175185543) has the molecular formula C10H17ClN2S and a molecular weight of 232.78 g/mol. Its IUPAC name is N-methyl-3-(2-methylpropylsulfanyl)pyridin-2-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-3-(2-methylpropylsulfanyl)pyridin-2-amine;hydrochloride
PubChem CID175185543
Molecular FormulaC10H17ClN2S
Molecular Weight232.78 g/mol
Exact Mass232.08
IUPAC NameN-methyl-3-(2-methylpropylsulfanyl)pyridin-2-amine;hydrochloride
SMILESCNc1ncccc1SCC(C)C.Cl
InChIInChI=1S/C10H16N2S.ClH/c1-8(2)7-13-9-5-4-6-12-10(9)11-3;/h4-6,8H,7H2,1-3H3,(H,11,12);1H
InChIKeyUYZJZZHUJAPEQC-UHFFFAOYSA-N
XLogP3.29
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.78
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2-methylpropylsulfanyl)pyridin-2-amine;hydrochloride?
The IUPAC name of N-methyl-3-(2-methylpropylsulfanyl)pyridin-2-amine;hydrochloride (CID 175185543) is N-methyl-3-(2-methylpropylsulfanyl)pyridin-2-amine;hydrochloride.
What is the SMILES notation for N-methyl-3-(2-methylpropylsulfanyl)pyridin-2-amine;hydrochloride?
The canonical SMILES for N-methyl-3-(2-methylpropylsulfanyl)pyridin-2-amine;hydrochloride is CNc1ncccc1SCC(C)C.Cl.
What is the InChIKey of N-methyl-3-(2-methylpropylsulfanyl)pyridin-2-amine;hydrochloride?
The InChIKey is UYZJZZHUJAPEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S.ClH/c1-8(2)7-13-9-5-4-6-12-10(9)11-3;/h4-6,8H,7H2,1-3H3,(H,11,12);1H.
What are the key properties of N-methyl-3-(2-methylpropylsulfanyl)pyridin-2-amine;hydrochloride?
N-methyl-3-(2-methylpropylsulfanyl)pyridin-2-amine;hydrochloride has a molecular weight of 232.78 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2-methylpropylsulfanyl)pyridin-2-amine;hydrochloride is sourced from PubChem (CID 175185543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).