N-(2-cyanoethyl)-2-(2-prop-2-enylsulfanylethylamino)acetamide

C10H17N3OS — CID 106427808

IUPACN-(2-cyanoethyl)-2-(2-prop-2-enylsulfanylethylamino)acetamide
SMILESC=CCSCCNCC(=O)NCCC#N
InChIInChI=1S/C10H17N3OS/c1-2-7-15-8-6-12-9-10(14)13-5-3-4-11/h2,12H,1,3,5-9H2,(H,13,14)
InChIKeyJRYBVQYSUMEHOB-UHFFFAOYSA-N
MW227.33 g/mol
LogP0.53
Rot. Bonds9

About N-(2-cyanoethyl)-2-(2-prop-2-enylsulfanylethylamino)acetamide

N-(2-cyanoethyl)-2-(2-prop-2-enylsulfanylethylamino)acetamide (PubChem CID 106427808) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-(2-prop-2-enylsulfanylethylamino)acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-(2-prop-2-enylsulfanylethylamino)acetamide
PubChem CID106427808
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC NameN-(2-cyanoethyl)-2-(2-prop-2-enylsulfanylethylamino)acetamide
SMILESC=CCSCCNCC(=O)NCCC#N
InChIInChI=1S/C10H17N3OS/c1-2-7-15-8-6-12-9-10(14)13-5-3-4-11/h2,12H,1,3,5-9H2,(H,13,14)
InChIKeyJRYBVQYSUMEHOB-UHFFFAOYSA-N
XLogP0.53
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-prop-2-enylsulfanylethylamino)-N-propylacetamide
CID 106427805
2-(2-prop-2-enylsulfanylethylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 106428073
N-(2-cyanoethyl)-2-[2-(2-hydroxyethoxy)ethylamino]acetamide
CID 60689523
N-(2-cyanoethyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide
CID 60697915
(Z)-3-methyl-4-(2-prop-2-enylsulfanylethylamino)but-2-enoic acid
CID 106429888
N-(2-cyanoethyl)-2-[(3-oxo-3-piperidin-1-ylpropyl)amino]acetamide
CID 115586646
3-(2-prop-2-enylsulfanylethylamino)propanoic acid
CID 106427665
N-(2-cyanoethyl)-2-(4-methoxybutylamino)acetamide
CID 60975251
2,2-dimethyl-4-(2-prop-2-enylsulfanylethylamino)butanenitrile
CID 106427918
N-(2-cyanoethyl)-2-[2-[methyl(propan-2-yl)amino]ethylamino]acetamide
CID 62640317
N-(2-cyanoethyl)-2-[[2-(cyclopropylamino)-2-oxoethyl]amino]acetamide
CID 43401906
N-prop-2-enyl-2-(propylamino)acetamide
CID 54819030

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-(2-prop-2-enylsulfanylethylamino)acetamide?
The IUPAC name of N-(2-cyanoethyl)-2-(2-prop-2-enylsulfanylethylamino)acetamide (CID 106427808) is N-(2-cyanoethyl)-2-(2-prop-2-enylsulfanylethylamino)acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-(2-prop-2-enylsulfanylethylamino)acetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-(2-prop-2-enylsulfanylethylamino)acetamide is C=CCSCCNCC(=O)NCCC#N.
What is the InChIKey of N-(2-cyanoethyl)-2-(2-prop-2-enylsulfanylethylamino)acetamide?
The InChIKey is JRYBVQYSUMEHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-2-7-15-8-6-12-9-10(14)13-5-3-4-11/h2,12H,1,3,5-9H2,(H,13,14).
What are the key properties of N-(2-cyanoethyl)-2-(2-prop-2-enylsulfanylethylamino)acetamide?
N-(2-cyanoethyl)-2-(2-prop-2-enylsulfanylethylamino)acetamide has a molecular weight of 227.33 g/mol, XLogP of 0.53, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-(2-prop-2-enylsulfanylethylamino)acetamide is sourced from PubChem (CID 106427808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).