2-ethylsulfinyl-N-methylethanamine

C5H13NOS — CID 64650879

IUPAC2-ethylsulfinyl-N-methylethanamine
SMILESCCS(=O)CCNC
InChIInChI=1S/C5H13NOS/c1-3-8(7)5-4-6-2/h6H,3-5H2,1-2H3
InChIKeyPVBZYGTVGGZAOG-UHFFFAOYSA-N
MW135.23 g/mol
LogP-0.03
Rot. Bonds4

About 2-ethylsulfinyl-N-methylethanamine

2-ethylsulfinyl-N-methylethanamine (PubChem CID 64650879) has the molecular formula C5H13NOS and a molecular weight of 135.23 g/mol. Its IUPAC name is 2-ethylsulfinyl-N-methylethanamine.

Molecular Properties

Compound Name2-ethylsulfinyl-N-methylethanamine
PubChem CID64650879
Molecular FormulaC5H13NOS
Molecular Weight135.23 g/mol
Exact Mass135.07
IUPAC Name2-ethylsulfinyl-N-methylethanamine
SMILESCCS(=O)CCNC
InChIInChI=1S/C5H13NOS/c1-3-8(7)5-4-6-2/h6H,3-5H2,1-2H3
InChIKeyPVBZYGTVGGZAOG-UHFFFAOYSA-N
XLogP-0.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.23
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfinyl-N-methylethanamine?
The IUPAC name of 2-ethylsulfinyl-N-methylethanamine (CID 64650879) is 2-ethylsulfinyl-N-methylethanamine.
What is the SMILES notation for 2-ethylsulfinyl-N-methylethanamine?
The canonical SMILES for 2-ethylsulfinyl-N-methylethanamine is CCS(=O)CCNC.
What is the InChIKey of 2-ethylsulfinyl-N-methylethanamine?
The InChIKey is PVBZYGTVGGZAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NOS/c1-3-8(7)5-4-6-2/h6H,3-5H2,1-2H3.
What are the key properties of 2-ethylsulfinyl-N-methylethanamine?
2-ethylsulfinyl-N-methylethanamine has a molecular weight of 135.23 g/mol, XLogP of -0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfinyl-N-methylethanamine is sourced from PubChem (CID 64650879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).