2-ethylsulfinylpropan-1-amine

C5H13NOS — CID 54405180

IUPAC2-ethylsulfinylpropan-1-amine
SMILESCCS(=O)C(C)CN
InChIInChI=1S/C5H13NOS/c1-3-8(7)5(2)4-6/h5H,3-4,6H2,1-2H3
InChIKeyKLOLYWYDOOZTMJ-UHFFFAOYSA-N
MW135.23 g/mol
LogP0.10
Rot. Bonds3

About 2-ethylsulfinylpropan-1-amine

2-ethylsulfinylpropan-1-amine (PubChem CID 54405180) has the molecular formula C5H13NOS and a molecular weight of 135.23 g/mol. Its IUPAC name is 2-ethylsulfinylpropan-1-amine.

Molecular Properties

Compound Name2-ethylsulfinylpropan-1-amine
PubChem CID54405180
Molecular FormulaC5H13NOS
Molecular Weight135.23 g/mol
Exact Mass135.07
IUPAC Name2-ethylsulfinylpropan-1-amine
SMILESCCS(=O)C(C)CN
InChIInChI=1S/C5H13NOS/c1-3-8(7)5(2)4-6/h5H,3-4,6H2,1-2H3
InChIKeyKLOLYWYDOOZTMJ-UHFFFAOYSA-N
XLogP0.10
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.23
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfinylpropan-1-amine?
The IUPAC name of 2-ethylsulfinylpropan-1-amine (CID 54405180) is 2-ethylsulfinylpropan-1-amine.
What is the SMILES notation for 2-ethylsulfinylpropan-1-amine?
The canonical SMILES for 2-ethylsulfinylpropan-1-amine is CCS(=O)C(C)CN.
What is the InChIKey of 2-ethylsulfinylpropan-1-amine?
The InChIKey is KLOLYWYDOOZTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NOS/c1-3-8(7)5(2)4-6/h5H,3-4,6H2,1-2H3.
What are the key properties of 2-ethylsulfinylpropan-1-amine?
2-ethylsulfinylpropan-1-amine has a molecular weight of 135.23 g/mol, XLogP of 0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfinylpropan-1-amine is sourced from PubChem (CID 54405180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).