N-(2-ethylsulfinylethyl)-1-(3-methylpyrazin-2-yl)ethanamine

C11H19N3OS — CID 102612714

IUPACN-(2-ethylsulfinylethyl)-1-(3-methylpyrazin-2-yl)ethanamine
SMILESCCS(=O)CCNC(C)c1nccnc1C
InChIInChI=1S/C11H19N3OS/c1-4-16(15)8-7-13-10(3)11-9(2)12-5-6-14-11/h5-6,10,13H,4,7-8H2,1-3H3
InChIKeyNRAQQRXEXKYGAX-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.20
Rot. Bonds6

About N-(2-ethylsulfinylethyl)-1-(3-methylpyrazin-2-yl)ethanamine

N-(2-ethylsulfinylethyl)-1-(3-methylpyrazin-2-yl)ethanamine (PubChem CID 102612714) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is N-(2-ethylsulfinylethyl)-1-(3-methylpyrazin-2-yl)ethanamine.

Molecular Properties

Compound NameN-(2-ethylsulfinylethyl)-1-(3-methylpyrazin-2-yl)ethanamine
PubChem CID102612714
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC NameN-(2-ethylsulfinylethyl)-1-(3-methylpyrazin-2-yl)ethanamine
SMILESCCS(=O)CCNC(C)c1nccnc1C
InChIInChI=1S/C11H19N3OS/c1-4-16(15)8-7-13-10(3)11-9(2)12-5-6-14-11/h5-6,10,13H,4,7-8H2,1-3H3
InChIKeyNRAQQRXEXKYGAX-UHFFFAOYSA-N
XLogP1.20
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfinylethyl)-1-(3-methylpyrazin-2-yl)ethanamine?
The IUPAC name of N-(2-ethylsulfinylethyl)-1-(3-methylpyrazin-2-yl)ethanamine (CID 102612714) is N-(2-ethylsulfinylethyl)-1-(3-methylpyrazin-2-yl)ethanamine.
What is the SMILES notation for N-(2-ethylsulfinylethyl)-1-(3-methylpyrazin-2-yl)ethanamine?
The canonical SMILES for N-(2-ethylsulfinylethyl)-1-(3-methylpyrazin-2-yl)ethanamine is CCS(=O)CCNC(C)c1nccnc1C.
What is the InChIKey of N-(2-ethylsulfinylethyl)-1-(3-methylpyrazin-2-yl)ethanamine?
The InChIKey is NRAQQRXEXKYGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-4-16(15)8-7-13-10(3)11-9(2)12-5-6-14-11/h5-6,10,13H,4,7-8H2,1-3H3.
What are the key properties of N-(2-ethylsulfinylethyl)-1-(3-methylpyrazin-2-yl)ethanamine?
N-(2-ethylsulfinylethyl)-1-(3-methylpyrazin-2-yl)ethanamine has a molecular weight of 241.36 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfinylethyl)-1-(3-methylpyrazin-2-yl)ethanamine is sourced from PubChem (CID 102612714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).