2-(ethylamino)-5-methylsulfanylpentanenitrile

C8H16N2S — CID 103089121

IUPAC2-(ethylamino)-5-methylsulfanylpentanenitrile
SMILESCCNC(C#N)CCCSC
InChIInChI=1S/C8H16N2S/c1-3-10-8(7-9)5-4-6-11-2/h8,10H,3-6H2,1-2H3
InChIKeyDCPKRPTWQKZDAM-UHFFFAOYSA-N
MW172.30 g/mol
LogP1.63
Rot. Bonds6

About 2-(ethylamino)-5-methylsulfanylpentanenitrile

2-(ethylamino)-5-methylsulfanylpentanenitrile (PubChem CID 103089121) has the molecular formula C8H16N2S and a molecular weight of 172.30 g/mol. Its IUPAC name is 2-(ethylamino)-5-methylsulfanylpentanenitrile.

Molecular Properties

Compound Name2-(ethylamino)-5-methylsulfanylpentanenitrile
PubChem CID103089121
Molecular FormulaC8H16N2S
Molecular Weight172.30 g/mol
Exact Mass172.10
IUPAC Name2-(ethylamino)-5-methylsulfanylpentanenitrile
SMILESCCNC(C#N)CCCSC
InChIInChI=1S/C8H16N2S/c1-3-10-8(7-9)5-4-6-11-2/h8,10H,3-6H2,1-2H3
InChIKeyDCPKRPTWQKZDAM-UHFFFAOYSA-N
XLogP1.63
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.30
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-5-methylsulfanylpentanenitrile?
The IUPAC name of 2-(ethylamino)-5-methylsulfanylpentanenitrile (CID 103089121) is 2-(ethylamino)-5-methylsulfanylpentanenitrile.
What is the SMILES notation for 2-(ethylamino)-5-methylsulfanylpentanenitrile?
The canonical SMILES for 2-(ethylamino)-5-methylsulfanylpentanenitrile is CCNC(C#N)CCCSC.
What is the InChIKey of 2-(ethylamino)-5-methylsulfanylpentanenitrile?
The InChIKey is DCPKRPTWQKZDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2S/c1-3-10-8(7-9)5-4-6-11-2/h8,10H,3-6H2,1-2H3.
What are the key properties of 2-(ethylamino)-5-methylsulfanylpentanenitrile?
2-(ethylamino)-5-methylsulfanylpentanenitrile has a molecular weight of 172.30 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-5-methylsulfanylpentanenitrile is sourced from PubChem (CID 103089121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).