2-(sulfanylamino)pentanenitrile

C5H10N2S — CID 156697997

IUPAC2-(sulfanylamino)pentanenitrile
SMILESCCCC(C#N)NS
InChIInChI=1S/C5H10N2S/c1-2-3-5(4-6)7-8/h5,7-8H,2-3H2,1H3
InChIKeyKXNOABNRJFBJHT-UHFFFAOYSA-N
MW130.22 g/mol
LogP1.11
Rot. Bonds3

About 2-(sulfanylamino)pentanenitrile

2-(sulfanylamino)pentanenitrile (PubChem CID 156697997) has the molecular formula C5H10N2S and a molecular weight of 130.22 g/mol. Its IUPAC name is 2-(sulfanylamino)pentanenitrile.

Molecular Properties

Compound Name2-(sulfanylamino)pentanenitrile
PubChem CID156697997
Molecular FormulaC5H10N2S
Molecular Weight130.22 g/mol
Exact Mass130.06
IUPAC Name2-(sulfanylamino)pentanenitrile
SMILESCCCC(C#N)NS
InChIInChI=1S/C5H10N2S/c1-2-3-5(4-6)7-8/h5,7-8H,2-3H2,1H3
InChIKeyKXNOABNRJFBJHT-UHFFFAOYSA-N
XLogP1.11
TPSA35.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.22
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(sulfanylamino)pentanenitrile?
The IUPAC name of 2-(sulfanylamino)pentanenitrile (CID 156697997) is 2-(sulfanylamino)pentanenitrile.
What is the SMILES notation for 2-(sulfanylamino)pentanenitrile?
The canonical SMILES for 2-(sulfanylamino)pentanenitrile is CCCC(C#N)NS.
What is the InChIKey of 2-(sulfanylamino)pentanenitrile?
The InChIKey is KXNOABNRJFBJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2S/c1-2-3-5(4-6)7-8/h5,7-8H,2-3H2,1H3.
What are the key properties of 2-(sulfanylamino)pentanenitrile?
2-(sulfanylamino)pentanenitrile has a molecular weight of 130.22 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(sulfanylamino)pentanenitrile is sourced from PubChem (CID 156697997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).