2-amino-4-cyclopentylsulfanylbutanenitrile

C9H16N2S — CID 63115329

IUPAC2-amino-4-cyclopentylsulfanylbutanenitrile
SMILESN#CC(N)CCSC1CCCC1
InChIInChI=1S/C9H16N2S/c10-7-8(11)5-6-12-9-3-1-2-4-9/h8-9H,1-6,11H2
InChIKeyGGJJJYRMJKDNJF-UHFFFAOYSA-N
MW184.31 g/mol
LogP1.90
Rot. Bonds4

About 2-amino-4-cyclopentylsulfanylbutanenitrile

2-amino-4-cyclopentylsulfanylbutanenitrile (PubChem CID 63115329) has the molecular formula C9H16N2S and a molecular weight of 184.31 g/mol. Its IUPAC name is 2-amino-4-cyclopentylsulfanylbutanenitrile.

Molecular Properties

Compound Name2-amino-4-cyclopentylsulfanylbutanenitrile
PubChem CID63115329
Molecular FormulaC9H16N2S
Molecular Weight184.31 g/mol
Exact Mass184.10
IUPAC Name2-amino-4-cyclopentylsulfanylbutanenitrile
SMILESN#CC(N)CCSC1CCCC1
InChIInChI=1S/C9H16N2S/c10-7-8(11)5-6-12-9-3-1-2-4-9/h8-9H,1-6,11H2
InChIKeyGGJJJYRMJKDNJF-UHFFFAOYSA-N
XLogP1.90
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-cyclopentylsulfanylbutanenitrile?
The IUPAC name of 2-amino-4-cyclopentylsulfanylbutanenitrile (CID 63115329) is 2-amino-4-cyclopentylsulfanylbutanenitrile.
What is the SMILES notation for 2-amino-4-cyclopentylsulfanylbutanenitrile?
The canonical SMILES for 2-amino-4-cyclopentylsulfanylbutanenitrile is N#CC(N)CCSC1CCCC1.
What is the InChIKey of 2-amino-4-cyclopentylsulfanylbutanenitrile?
The InChIKey is GGJJJYRMJKDNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2S/c10-7-8(11)5-6-12-9-3-1-2-4-9/h8-9H,1-6,11H2.
What are the key properties of 2-amino-4-cyclopentylsulfanylbutanenitrile?
2-amino-4-cyclopentylsulfanylbutanenitrile has a molecular weight of 184.31 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-cyclopentylsulfanylbutanenitrile is sourced from PubChem (CID 63115329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).