2-ethoxy-3-propan-2-ylsulfinylpropan-1-amine

C8H19NO2S — CID 81328055

IUPAC2-ethoxy-3-propan-2-ylsulfinylpropan-1-amine
SMILESCCOC(CN)CS(=O)C(C)C
InChIInChI=1S/C8H19NO2S/c1-4-11-8(5-9)6-12(10)7(2)3/h7-8H,4-6,9H2,1-3H3
InChIKeyNRINJJUOUONXPA-UHFFFAOYSA-N
MW193.31 g/mol
LogP0.51
Rot. Bonds6

About 2-ethoxy-3-propan-2-ylsulfinylpropan-1-amine

2-ethoxy-3-propan-2-ylsulfinylpropan-1-amine (PubChem CID 81328055) has the molecular formula C8H19NO2S and a molecular weight of 193.31 g/mol. Its IUPAC name is 2-ethoxy-3-propan-2-ylsulfinylpropan-1-amine.

Molecular Properties

Compound Name2-ethoxy-3-propan-2-ylsulfinylpropan-1-amine
PubChem CID81328055
Molecular FormulaC8H19NO2S
Molecular Weight193.31 g/mol
Exact Mass193.11
IUPAC Name2-ethoxy-3-propan-2-ylsulfinylpropan-1-amine
SMILESCCOC(CN)CS(=O)C(C)C
InChIInChI=1S/C8H19NO2S/c1-4-11-8(5-9)6-12(10)7(2)3/h7-8H,4-6,9H2,1-3H3
InChIKeyNRINJJUOUONXPA-UHFFFAOYSA-N
XLogP0.51
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-propan-2-ylsulfinylpropan-1-amine?
The IUPAC name of 2-ethoxy-3-propan-2-ylsulfinylpropan-1-amine (CID 81328055) is 2-ethoxy-3-propan-2-ylsulfinylpropan-1-amine.
What is the SMILES notation for 2-ethoxy-3-propan-2-ylsulfinylpropan-1-amine?
The canonical SMILES for 2-ethoxy-3-propan-2-ylsulfinylpropan-1-amine is CCOC(CN)CS(=O)C(C)C.
What is the InChIKey of 2-ethoxy-3-propan-2-ylsulfinylpropan-1-amine?
The InChIKey is NRINJJUOUONXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2S/c1-4-11-8(5-9)6-12(10)7(2)3/h7-8H,4-6,9H2,1-3H3.
What are the key properties of 2-ethoxy-3-propan-2-ylsulfinylpropan-1-amine?
2-ethoxy-3-propan-2-ylsulfinylpropan-1-amine has a molecular weight of 193.31 g/mol, XLogP of 0.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-propan-2-ylsulfinylpropan-1-amine is sourced from PubChem (CID 81328055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).