3-ethyl-N-methyl-N-methylsulfanylpyridin-2-amine

C9H14N2S — CID 176973503

IUPAC3-ethyl-N-methyl-N-methylsulfanylpyridin-2-amine
SMILESCCc1cccnc1N(C)SC
InChIInChI=1S/C9H14N2S/c1-4-8-6-5-7-10-9(8)11(2)12-3/h5-7H,4H2,1-3H3
InChIKeyYRXLDOJGQAYWNV-UHFFFAOYSA-N
MW182.29 g/mol
LogP2.36
Rot. Bonds3

About 3-ethyl-N-methyl-N-methylsulfanylpyridin-2-amine

3-ethyl-N-methyl-N-methylsulfanylpyridin-2-amine (PubChem CID 176973503) has the molecular formula C9H14N2S and a molecular weight of 182.29 g/mol. Its IUPAC name is 3-ethyl-N-methyl-N-methylsulfanylpyridin-2-amine.

Molecular Properties

Compound Name3-ethyl-N-methyl-N-methylsulfanylpyridin-2-amine
PubChem CID176973503
Molecular FormulaC9H14N2S
Molecular Weight182.29 g/mol
Exact Mass182.09
IUPAC Name3-ethyl-N-methyl-N-methylsulfanylpyridin-2-amine
SMILESCCc1cccnc1N(C)SC
InChIInChI=1S/C9H14N2S/c1-4-8-6-5-7-10-9(8)11(2)12-3/h5-7H,4H2,1-3H3
InChIKeyYRXLDOJGQAYWNV-UHFFFAOYSA-N
XLogP2.36
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-methyl-N-methylsulfanylpyridin-2-amine?
The IUPAC name of 3-ethyl-N-methyl-N-methylsulfanylpyridin-2-amine (CID 176973503) is 3-ethyl-N-methyl-N-methylsulfanylpyridin-2-amine.
What is the SMILES notation for 3-ethyl-N-methyl-N-methylsulfanylpyridin-2-amine?
The canonical SMILES for 3-ethyl-N-methyl-N-methylsulfanylpyridin-2-amine is CCc1cccnc1N(C)SC.
What is the InChIKey of 3-ethyl-N-methyl-N-methylsulfanylpyridin-2-amine?
The InChIKey is YRXLDOJGQAYWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S/c1-4-8-6-5-7-10-9(8)11(2)12-3/h5-7H,4H2,1-3H3.
What are the key properties of 3-ethyl-N-methyl-N-methylsulfanylpyridin-2-amine?
3-ethyl-N-methyl-N-methylsulfanylpyridin-2-amine has a molecular weight of 182.29 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-methyl-N-methylsulfanylpyridin-2-amine is sourced from PubChem (CID 176973503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).