2-methyl-5-thiomorpholin-4-ylpentanenitrile

C10H18N2S — CID 142227377

IUPAC2-methyl-5-thiomorpholin-4-ylpentanenitrile
SMILESCC(C#N)CCCN1CCSCC1
InChIInChI=1S/C10H18N2S/c1-10(9-11)3-2-4-12-5-7-13-8-6-12/h10H,2-8H2,1H3
InChIKeyWGESXCWVTBQHTF-UHFFFAOYSA-N
MW198.33 g/mol
LogP1.98
Rot. Bonds4

About 2-methyl-5-thiomorpholin-4-ylpentanenitrile

2-methyl-5-thiomorpholin-4-ylpentanenitrile (PubChem CID 142227377) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is 2-methyl-5-thiomorpholin-4-ylpentanenitrile.

Molecular Properties

Compound Name2-methyl-5-thiomorpholin-4-ylpentanenitrile
PubChem CID142227377
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC Name2-methyl-5-thiomorpholin-4-ylpentanenitrile
SMILESCC(C#N)CCCN1CCSCC1
InChIInChI=1S/C10H18N2S/c1-10(9-11)3-2-4-12-5-7-13-8-6-12/h10H,2-8H2,1H3
InChIKeyWGESXCWVTBQHTF-UHFFFAOYSA-N
XLogP1.98
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-thiomorpholin-4-ylpentanenitrile?
The IUPAC name of 2-methyl-5-thiomorpholin-4-ylpentanenitrile (CID 142227377) is 2-methyl-5-thiomorpholin-4-ylpentanenitrile.
What is the SMILES notation for 2-methyl-5-thiomorpholin-4-ylpentanenitrile?
The canonical SMILES for 2-methyl-5-thiomorpholin-4-ylpentanenitrile is CC(C#N)CCCN1CCSCC1.
What is the InChIKey of 2-methyl-5-thiomorpholin-4-ylpentanenitrile?
The InChIKey is WGESXCWVTBQHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c1-10(9-11)3-2-4-12-5-7-13-8-6-12/h10H,2-8H2,1H3.
What are the key properties of 2-methyl-5-thiomorpholin-4-ylpentanenitrile?
2-methyl-5-thiomorpholin-4-ylpentanenitrile has a molecular weight of 198.33 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-thiomorpholin-4-ylpentanenitrile is sourced from PubChem (CID 142227377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).