2-ethyl-2-(propylamino)-5-pyridin-2-ylsulfanylpentanenitrile

C15H23N3S — CID 106805180

IUPAC2-ethyl-2-(propylamino)-5-pyridin-2-ylsulfanylpentanenitrile
SMILESCCCNC(C#N)(CC)CCCSc1ccccn1
InChIInChI=1S/C15H23N3S/c1-3-10-18-15(4-2,13-16)9-7-12-19-14-8-5-6-11-17-14/h5-6,8,11,18H,3-4,7,9-10,12H2,1-2H3
InChIKeyYZECRMYCJQOIGX-UHFFFAOYSA-N
MW277.44 g/mol
LogP3.63
Rot. Bonds9

About 2-ethyl-2-(propylamino)-5-pyridin-2-ylsulfanylpentanenitrile

2-ethyl-2-(propylamino)-5-pyridin-2-ylsulfanylpentanenitrile (PubChem CID 106805180) has the molecular formula C15H23N3S and a molecular weight of 277.44 g/mol. Its IUPAC name is 2-ethyl-2-(propylamino)-5-pyridin-2-ylsulfanylpentanenitrile.

Molecular Properties

Compound Name2-ethyl-2-(propylamino)-5-pyridin-2-ylsulfanylpentanenitrile
PubChem CID106805180
Molecular FormulaC15H23N3S
Molecular Weight277.44 g/mol
Exact Mass277.16
IUPAC Name2-ethyl-2-(propylamino)-5-pyridin-2-ylsulfanylpentanenitrile
SMILESCCCNC(C#N)(CC)CCCSc1ccccn1
InChIInChI=1S/C15H23N3S/c1-3-10-18-15(4-2,13-16)9-7-12-19-14-8-5-6-11-17-14/h5-6,8,11,18H,3-4,7,9-10,12H2,1-2H3
InChIKeyYZECRMYCJQOIGX-UHFFFAOYSA-N
XLogP3.63
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.44
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-2-(propylamino)-5-pyrimidin-4-ylsulfanylpentanenitrile
CID 106805421
5-[(5-bromo-2-pyridinyl)sulfanyl]-2-ethyl-2-(ethylamino)pentanenitrile
CID 106805440
2-ethyl-5-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(propylamino)pentanenitrile
CID 106805366
2-ethyl-5-(2-hydroxyethylsulfanyl)-2-(propylamino)pentanenitrile
CID 106805061
5-[(5-bromo-2-pyridinyl)sulfanyl]-2-ethyl-2-(methylamino)pentanenitrile
CID 106805439
N-methyl-4-pyridin-2-ylsulfanylbutan-1-amine
CID 62578791
5-pyridin-2-ylsulfanylpentanenitrile
CID 19843929
N-propyl-6-pyridin-2-ylsulfanylhexan-2-amine
CID 64649505
2-ethyl-5-(3-methoxyphenoxy)-2-(propylamino)pentanenitrile
CID 106804523
2-methyl-2-(methylamino)-5-pyridin-2-ylsulfanylpentan-1-ol
CID 64807025
2-ethyl-5-(3-methylbutylsulfanyl)-2-(propylamino)pentanenitrile
CID 107755114
2-ethyl-2-(ethylamino)-5-[methyl(2-pyridin-2-ylethyl)amino]pentanenitrile
CID 106802785

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(propylamino)-5-pyridin-2-ylsulfanylpentanenitrile?
The IUPAC name of 2-ethyl-2-(propylamino)-5-pyridin-2-ylsulfanylpentanenitrile (CID 106805180) is 2-ethyl-2-(propylamino)-5-pyridin-2-ylsulfanylpentanenitrile.
What is the SMILES notation for 2-ethyl-2-(propylamino)-5-pyridin-2-ylsulfanylpentanenitrile?
The canonical SMILES for 2-ethyl-2-(propylamino)-5-pyridin-2-ylsulfanylpentanenitrile is CCCNC(C#N)(CC)CCCSc1ccccn1.
What is the InChIKey of 2-ethyl-2-(propylamino)-5-pyridin-2-ylsulfanylpentanenitrile?
The InChIKey is YZECRMYCJQOIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3S/c1-3-10-18-15(4-2,13-16)9-7-12-19-14-8-5-6-11-17-14/h5-6,8,11,18H,3-4,7,9-10,12H2,1-2H3.
What are the key properties of 2-ethyl-2-(propylamino)-5-pyridin-2-ylsulfanylpentanenitrile?
2-ethyl-2-(propylamino)-5-pyridin-2-ylsulfanylpentanenitrile has a molecular weight of 277.44 g/mol, XLogP of 3.63, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(propylamino)-5-pyridin-2-ylsulfanylpentanenitrile is sourced from PubChem (CID 106805180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).