6-(1-ethylsulfanylethyl)-N,N-dimethylpyridine-2-carboxamide

C12H18N2OS — CID 131976898

IUPAC6-(1-ethylsulfanylethyl)-N,N-dimethylpyridine-2-carboxamide
SMILESCCSC(C)c1cccc(C(=O)N(C)C)n1
InChIInChI=1S/C12H18N2OS/c1-5-16-9(2)10-7-6-8-11(13-10)12(15)14(3)4/h6-9H,5H2,1-4H3
InChIKeyVIZAQEYYIJHQED-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.60
Rot. Bonds4

About 6-(1-ethylsulfanylethyl)-N,N-dimethylpyridine-2-carboxamide

6-(1-ethylsulfanylethyl)-N,N-dimethylpyridine-2-carboxamide (PubChem CID 131976898) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 6-(1-ethylsulfanylethyl)-N,N-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-(1-ethylsulfanylethyl)-N,N-dimethylpyridine-2-carboxamide
PubChem CID131976898
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name6-(1-ethylsulfanylethyl)-N,N-dimethylpyridine-2-carboxamide
SMILESCCSC(C)c1cccc(C(=O)N(C)C)n1
InChIInChI=1S/C12H18N2OS/c1-5-16-9(2)10-7-6-8-11(13-10)12(15)14(3)4/h6-9H,5H2,1-4H3
InChIKeyVIZAQEYYIJHQED-UHFFFAOYSA-N
XLogP2.60
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(1-ethylsulfanylethyl)-N,N-dimethylpyridine-2-carboxamide?
The IUPAC name of 6-(1-ethylsulfanylethyl)-N,N-dimethylpyridine-2-carboxamide (CID 131976898) is 6-(1-ethylsulfanylethyl)-N,N-dimethylpyridine-2-carboxamide.
What is the SMILES notation for 6-(1-ethylsulfanylethyl)-N,N-dimethylpyridine-2-carboxamide?
The canonical SMILES for 6-(1-ethylsulfanylethyl)-N,N-dimethylpyridine-2-carboxamide is CCSC(C)c1cccc(C(=O)N(C)C)n1.
What is the InChIKey of 6-(1-ethylsulfanylethyl)-N,N-dimethylpyridine-2-carboxamide?
The InChIKey is VIZAQEYYIJHQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-5-16-9(2)10-7-6-8-11(13-10)12(15)14(3)4/h6-9H,5H2,1-4H3.
What are the key properties of 6-(1-ethylsulfanylethyl)-N,N-dimethylpyridine-2-carboxamide?
6-(1-ethylsulfanylethyl)-N,N-dimethylpyridine-2-carboxamide has a molecular weight of 238.36 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-ethylsulfanylethyl)-N,N-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 131976898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).