3-[methyl(thiolan-3-yl)amino]propanenitrile

C8H14N2S — CID 43296634

IUPAC3-[methyl(thiolan-3-yl)amino]propanenitrile
SMILESCN(CCC#N)C1CCSC1
InChIInChI=1S/C8H14N2S/c1-10(5-2-4-9)8-3-6-11-7-8/h8H,2-3,5-7H2,1H3
InChIKeyQAQJIJSPGVMXQA-UHFFFAOYSA-N
MW170.28 g/mol
LogP1.34
Rot. Bonds3

About 3-[methyl(thiolan-3-yl)amino]propanenitrile

3-[methyl(thiolan-3-yl)amino]propanenitrile (PubChem CID 43296634) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is 3-[methyl(thiolan-3-yl)amino]propanenitrile.

Molecular Properties

Compound Name3-[methyl(thiolan-3-yl)amino]propanenitrile
PubChem CID43296634
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC Name3-[methyl(thiolan-3-yl)amino]propanenitrile
SMILESCN(CCC#N)C1CCSC1
InChIInChI=1S/C8H14N2S/c1-10(5-2-4-9)8-3-6-11-7-8/h8H,2-3,5-7H2,1H3
InChIKeyQAQJIJSPGVMXQA-UHFFFAOYSA-N
XLogP1.34
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl(thiolan-3-yl)amino]propanenitrile?
The IUPAC name of 3-[methyl(thiolan-3-yl)amino]propanenitrile (CID 43296634) is 3-[methyl(thiolan-3-yl)amino]propanenitrile.
What is the SMILES notation for 3-[methyl(thiolan-3-yl)amino]propanenitrile?
The canonical SMILES for 3-[methyl(thiolan-3-yl)amino]propanenitrile is CN(CCC#N)C1CCSC1.
What is the InChIKey of 3-[methyl(thiolan-3-yl)amino]propanenitrile?
The InChIKey is QAQJIJSPGVMXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S/c1-10(5-2-4-9)8-3-6-11-7-8/h8H,2-3,5-7H2,1H3.
What are the key properties of 3-[methyl(thiolan-3-yl)amino]propanenitrile?
3-[methyl(thiolan-3-yl)amino]propanenitrile has a molecular weight of 170.28 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(thiolan-3-yl)amino]propanenitrile is sourced from PubChem (CID 43296634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).