2-cyano-2-propyl-N-(2-prop-2-ynylsulfanylethyl)pentanamide

C14H22N2OS — CID 114187651

IUPAC2-cyano-2-propyl-N-(2-prop-2-ynylsulfanylethyl)pentanamide
SMILESC#CCSCCNC(=O)C(C#N)(CCC)CCC
InChIInChI=1S/C14H22N2OS/c1-4-7-14(12-15,8-5-2)13(17)16-9-11-18-10-6-3/h3H,4-5,7-11H2,1-2H3,(H,16,17)
InChIKeyKSQPJVAGDFUJSB-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.58
Rot. Bonds9

About 2-cyano-2-propyl-N-(2-prop-2-ynylsulfanylethyl)pentanamide

2-cyano-2-propyl-N-(2-prop-2-ynylsulfanylethyl)pentanamide (PubChem CID 114187651) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 2-cyano-2-propyl-N-(2-prop-2-ynylsulfanylethyl)pentanamide.

Molecular Properties

Compound Name2-cyano-2-propyl-N-(2-prop-2-ynylsulfanylethyl)pentanamide
PubChem CID114187651
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name2-cyano-2-propyl-N-(2-prop-2-ynylsulfanylethyl)pentanamide
SMILESC#CCSCCNC(=O)C(C#N)(CCC)CCC
InChIInChI=1S/C14H22N2OS/c1-4-7-14(12-15,8-5-2)13(17)16-9-11-18-10-6-3/h3H,4-5,7-11H2,1-2H3,(H,16,17)
InChIKeyKSQPJVAGDFUJSB-UHFFFAOYSA-N
XLogP2.58
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(aminomethyl)-2-methyl-N-(2-prop-2-ynylsulfanylethyl)butanamide
CID 106427791
2-cyano-N-(5-hydroxy-4-methylpentyl)-2-propylpentanamide
CID 106161676
2-[(2-cyano-2-propylpentanoyl)amino]ethyl carbamate
CID 83210197
2-cyano-N-(3-propoxypropyl)-2-propylpentanamide
CID 82941499
2,2-dimethyl-4-(2-prop-2-ynylsulfanylethylamino)butanenitrile
CID 106428735
N-(2-prop-2-ynylsulfanylethyl)prop-2-enamide
CID 106427081
2-bromo-N-(2-prop-2-ynylsulfanylethyl)butanamide
CID 106427093
2-(ethylamino)-N-(2-prop-2-ynylsulfanylethyl)acetamide
CID 106427755
2-cyano-N-(2-methoxy-2-methylpropyl)-2-propylpentanamide
CID 113450294
3-amino-3-methyl-N-(2-prop-2-ynylsulfanylethyl)butanamide
CID 106428040
N-[2-(tert-butylamino)-2-oxoethyl]-2-cyano-2-propylpentanamide
CID 115356267
2-amino-N-(2-prop-2-ynylsulfanylethyl)hexanamide
CID 103950288

Frequently Asked Questions

What is the IUPAC name of 2-cyano-2-propyl-N-(2-prop-2-ynylsulfanylethyl)pentanamide?
The IUPAC name of 2-cyano-2-propyl-N-(2-prop-2-ynylsulfanylethyl)pentanamide (CID 114187651) is 2-cyano-2-propyl-N-(2-prop-2-ynylsulfanylethyl)pentanamide.
What is the SMILES notation for 2-cyano-2-propyl-N-(2-prop-2-ynylsulfanylethyl)pentanamide?
The canonical SMILES for 2-cyano-2-propyl-N-(2-prop-2-ynylsulfanylethyl)pentanamide is C#CCSCCNC(=O)C(C#N)(CCC)CCC.
What is the InChIKey of 2-cyano-2-propyl-N-(2-prop-2-ynylsulfanylethyl)pentanamide?
The InChIKey is KSQPJVAGDFUJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-4-7-14(12-15,8-5-2)13(17)16-9-11-18-10-6-3/h3H,4-5,7-11H2,1-2H3,(H,16,17).
What are the key properties of 2-cyano-2-propyl-N-(2-prop-2-ynylsulfanylethyl)pentanamide?
2-cyano-2-propyl-N-(2-prop-2-ynylsulfanylethyl)pentanamide has a molecular weight of 266.41 g/mol, XLogP of 2.58, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-propyl-N-(2-prop-2-ynylsulfanylethyl)pentanamide is sourced from PubChem (CID 114187651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).