2-ethylsulfinylethanamine

C4H11NOS — CID 15260276

IUPAC2-ethylsulfinylethanamine
SMILESCCS(=O)CCN
InChIInChI=1S/C4H11NOS/c1-2-7(6)4-3-5/h2-5H2,1H3
InChIKeyIUMHWHARDIAQMZ-UHFFFAOYSA-N
MW121.20 g/mol
LogP-0.29
Rot. Bonds3

About 2-ethylsulfinylethanamine

2-ethylsulfinylethanamine (PubChem CID 15260276) has the molecular formula C4H11NOS and a molecular weight of 121.20 g/mol. Its IUPAC name is 2-ethylsulfinylethanamine.

Molecular Properties

Compound Name2-ethylsulfinylethanamine
PubChem CID15260276
Molecular FormulaC4H11NOS
Molecular Weight121.20 g/mol
Exact Mass121.06
IUPAC Name2-ethylsulfinylethanamine
SMILESCCS(=O)CCN
InChIInChI=1S/C4H11NOS/c1-2-7(6)4-3-5/h2-5H2,1H3
InChIKeyIUMHWHARDIAQMZ-UHFFFAOYSA-N
XLogP-0.29
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.20
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfinylethanamine?
The IUPAC name of 2-ethylsulfinylethanamine (CID 15260276) is 2-ethylsulfinylethanamine.
What is the SMILES notation for 2-ethylsulfinylethanamine?
The canonical SMILES for 2-ethylsulfinylethanamine is CCS(=O)CCN.
What is the InChIKey of 2-ethylsulfinylethanamine?
The InChIKey is IUMHWHARDIAQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NOS/c1-2-7(6)4-3-5/h2-5H2,1H3.
What are the key properties of 2-ethylsulfinylethanamine?
2-ethylsulfinylethanamine has a molecular weight of 121.20 g/mol, XLogP of -0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfinylethanamine is sourced from PubChem (CID 15260276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).