2-amino-3-(2-methyloxolan-3-yl)sulfanylpropanenitrile

C8H14N2OS — CID 107754835

IUPAC2-amino-3-(2-methyloxolan-3-yl)sulfanylpropanenitrile
SMILESCC1OCCC1SCC(N)C#N
InChIInChI=1S/C8H14N2OS/c1-6-8(2-3-11-6)12-5-7(10)4-9/h6-8H,2-3,5,10H2,1H3
InChIKeyUMENHIZEEBVZDS-UHFFFAOYSA-N
MW186.28 g/mol
LogP0.75
Rot. Bonds3

About 2-amino-3-(2-methyloxolan-3-yl)sulfanylpropanenitrile

2-amino-3-(2-methyloxolan-3-yl)sulfanylpropanenitrile (PubChem CID 107754835) has the molecular formula C8H14N2OS and a molecular weight of 186.28 g/mol. Its IUPAC name is 2-amino-3-(2-methyloxolan-3-yl)sulfanylpropanenitrile.

Molecular Properties

Compound Name2-amino-3-(2-methyloxolan-3-yl)sulfanylpropanenitrile
PubChem CID107754835
Molecular FormulaC8H14N2OS
Molecular Weight186.28 g/mol
Exact Mass186.08
IUPAC Name2-amino-3-(2-methyloxolan-3-yl)sulfanylpropanenitrile
SMILESCC1OCCC1SCC(N)C#N
InChIInChI=1S/C8H14N2OS/c1-6-8(2-3-11-6)12-5-7(10)4-9/h6-8H,2-3,5,10H2,1H3
InChIKeyUMENHIZEEBVZDS-UHFFFAOYSA-N
XLogP0.75
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-methyloxolan-3-yl)sulfanylpropanenitrile?
The IUPAC name of 2-amino-3-(2-methyloxolan-3-yl)sulfanylpropanenitrile (CID 107754835) is 2-amino-3-(2-methyloxolan-3-yl)sulfanylpropanenitrile.
What is the SMILES notation for 2-amino-3-(2-methyloxolan-3-yl)sulfanylpropanenitrile?
The canonical SMILES for 2-amino-3-(2-methyloxolan-3-yl)sulfanylpropanenitrile is CC1OCCC1SCC(N)C#N.
What is the InChIKey of 2-amino-3-(2-methyloxolan-3-yl)sulfanylpropanenitrile?
The InChIKey is UMENHIZEEBVZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2OS/c1-6-8(2-3-11-6)12-5-7(10)4-9/h6-8H,2-3,5,10H2,1H3.
What are the key properties of 2-amino-3-(2-methyloxolan-3-yl)sulfanylpropanenitrile?
2-amino-3-(2-methyloxolan-3-yl)sulfanylpropanenitrile has a molecular weight of 186.28 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-methyloxolan-3-yl)sulfanylpropanenitrile is sourced from PubChem (CID 107754835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).