(2R)-1-ethylsulfinylpropan-2-amine

C5H13NOS — CID 88956944

IUPAC(2R)-1-ethylsulfinylpropan-2-amine
SMILESCCS(=O)C[C@@H](C)N
InChIInChI=1S/C5H13NOS/c1-3-8(7)4-5(2)6/h5H,3-4,6H2,1-2H3/t5-,8?/m1/s1
InChIKeyVAXIJLBUPUORAJ-RUQIKYNFSA-N
MW135.23 g/mol
LogP0.10
Rot. Bonds3

About (2R)-1-ethylsulfinylpropan-2-amine

(2R)-1-ethylsulfinylpropan-2-amine (PubChem CID 88956944) has the molecular formula C5H13NOS and a molecular weight of 135.23 g/mol. Its IUPAC name is (2R)-1-ethylsulfinylpropan-2-amine.

Molecular Properties

Compound Name(2R)-1-ethylsulfinylpropan-2-amine
PubChem CID88956944
Molecular FormulaC5H13NOS
Molecular Weight135.23 g/mol
Exact Mass135.07
IUPAC Name(2R)-1-ethylsulfinylpropan-2-amine
SMILESCCS(=O)C[C@@H](C)N
InChIInChI=1S/C5H13NOS/c1-3-8(7)4-5(2)6/h5H,3-4,6H2,1-2H3/t5-,8?/m1/s1
InChIKeyVAXIJLBUPUORAJ-RUQIKYNFSA-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 (2R)-1-ethylsulfinylpropan-2-amine?
The IUPAC name of (2R)-1-ethylsulfinylpropan-2-amine (CID 88956944) is (2R)-1-ethylsulfinylpropan-2-amine.
What is the SMILES notation for (2R)-1-ethylsulfinylpropan-2-amine?
The canonical SMILES for (2R)-1-ethylsulfinylpropan-2-amine is CCS(=O)C[C@@H](C)N.
What is the InChIKey of (2R)-1-ethylsulfinylpropan-2-amine?
The InChIKey is VAXIJLBUPUORAJ-RUQIKYNFSA-N. The full InChI is InChI=1S/C5H13NOS/c1-3-8(7)4-5(2)6/h5H,3-4,6H2,1-2H3/t5-,8?/m1/s1.
What are the key properties of (2R)-1-ethylsulfinylpropan-2-amine?
(2R)-1-ethylsulfinylpropan-2-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 (2R)-1-ethylsulfinylpropan-2-amine is sourced from PubChem (CID 88956944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).