2-prop-2-enylsulfanylethylcyanamide

C6H10N2S — CID 106427924

IUPAC2-prop-2-enylsulfanylethylcyanamide
SMILESC=CCSCCNC#N
InChIInChI=1S/C6H10N2S/c1-2-4-9-5-3-8-6-7/h2,8H,1,3-5H2
InChIKeyKOVIOCMAISHFMD-UHFFFAOYSA-N
MW142.23 g/mol
LogP0.98
Rot. Bonds5

About 2-prop-2-enylsulfanylethylcyanamide

2-prop-2-enylsulfanylethylcyanamide (PubChem CID 106427924) has the molecular formula C6H10N2S and a molecular weight of 142.23 g/mol. Its IUPAC name is 2-prop-2-enylsulfanylethylcyanamide.

Molecular Properties

Compound Name2-prop-2-enylsulfanylethylcyanamide
PubChem CID106427924
Molecular FormulaC6H10N2S
Molecular Weight142.23 g/mol
Exact Mass142.06
IUPAC Name2-prop-2-enylsulfanylethylcyanamide
SMILESC=CCSCCNC#N
InChIInChI=1S/C6H10N2S/c1-2-4-9-5-3-8-6-7/h2,8H,1,3-5H2
InChIKeyKOVIOCMAISHFMD-UHFFFAOYSA-N
XLogP0.98
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.23
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-N-(2-prop-2-enylsulfanylethyl)ethanamine
CID 106427472
N-(2-ethylsulfanylethyl)prop-2-en-1-amine
CID 62576296
N-methyl-3-prop-2-enylsulfanylpropan-1-amine
CID 13493112
2-(2-Prop-2-enylsulfanylethylamino)ethanethiol
CID 101365410
N-ethyl-2-prop-2-enylsulfanylethanamine
CID 106425909
N-(2-prop-2-enylsulfanylethyl)prop-2-en-1-amine
CID 106427661
2-(2-Prop-2-enylsulfanylethylamino)acetonitrile
CID 106427856
3-(2-Prop-2-enylsulfanylethylamino)propanenitrile
CID 106427867
N-methyl-2-prop-2-enylsulfanylethanamine
CID 106428183
2-but-3-en-2-ylsulfanyl-N-methylethanamine
CID 127006802
3-Prop-2-enylsulfanylazetidine
CID 130507982
N-methyl-2-prop-2-enylsulfanylpropan-1-amine
CID 130507995

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enylsulfanylethylcyanamide?
The IUPAC name of 2-prop-2-enylsulfanylethylcyanamide (CID 106427924) is 2-prop-2-enylsulfanylethylcyanamide.
What is the SMILES notation for 2-prop-2-enylsulfanylethylcyanamide?
The canonical SMILES for 2-prop-2-enylsulfanylethylcyanamide is C=CCSCCNC#N.
What is the InChIKey of 2-prop-2-enylsulfanylethylcyanamide?
The InChIKey is KOVIOCMAISHFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2S/c1-2-4-9-5-3-8-6-7/h2,8H,1,3-5H2.
What are the key properties of 2-prop-2-enylsulfanylethylcyanamide?
2-prop-2-enylsulfanylethylcyanamide has a molecular weight of 142.23 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enylsulfanylethylcyanamide is sourced from PubChem (CID 106427924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).