N,N-dimethyl-2-methylsulfanylpyridin-4-amine

C8H12N2S — CID 10888317

IUPACN,N-dimethyl-2-methylsulfanylpyridin-4-amine
SMILESCSc1cc(N(C)C)ccn1
InChIInChI=1S/C8H12N2S/c1-10(2)7-4-5-9-8(6-7)11-3/h4-6H,1-3H3
InChIKeyJBDRQSCWOKWMBQ-UHFFFAOYSA-N
MW168.26 g/mol
LogP1.87
Rot. Bonds2

About N,N-dimethyl-2-methylsulfanylpyridin-4-amine

N,N-dimethyl-2-methylsulfanylpyridin-4-amine (PubChem CID 10888317) has the molecular formula C8H12N2S and a molecular weight of 168.26 g/mol. Its IUPAC name is N,N-dimethyl-2-methylsulfanylpyridin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-methylsulfanylpyridin-4-amine
PubChem CID10888317
Molecular FormulaC8H12N2S
Molecular Weight168.26 g/mol
Exact Mass168.07
IUPAC NameN,N-dimethyl-2-methylsulfanylpyridin-4-amine
SMILESCSc1cc(N(C)C)ccn1
InChIInChI=1S/C8H12N2S/c1-10(2)7-4-5-9-8(6-7)11-3/h4-6H,1-3H3
InChIKeyJBDRQSCWOKWMBQ-UHFFFAOYSA-N
XLogP1.87
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-methylsulfanylpyridin-4-amine?
The IUPAC name of N,N-dimethyl-2-methylsulfanylpyridin-4-amine (CID 10888317) is N,N-dimethyl-2-methylsulfanylpyridin-4-amine.
What is the SMILES notation for N,N-dimethyl-2-methylsulfanylpyridin-4-amine?
The canonical SMILES for N,N-dimethyl-2-methylsulfanylpyridin-4-amine is CSc1cc(N(C)C)ccn1.
What is the InChIKey of N,N-dimethyl-2-methylsulfanylpyridin-4-amine?
The InChIKey is JBDRQSCWOKWMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S/c1-10(2)7-4-5-9-8(6-7)11-3/h4-6H,1-3H3.
What are the key properties of N,N-dimethyl-2-methylsulfanylpyridin-4-amine?
N,N-dimethyl-2-methylsulfanylpyridin-4-amine has a molecular weight of 168.26 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-methylsulfanylpyridin-4-amine is sourced from PubChem (CID 10888317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).