N-ethenylpyrrolidine-1-carbothioamide

C7H12N2S — CID 143146556

IUPACN-ethenylpyrrolidine-1-carbothioamide
SMILESC=CNC(=S)N1CCCC1
InChIInChI=1S/C7H12N2S/c1-2-8-7(10)9-5-3-4-6-9/h2H,1,3-6H2,(H,8,10)
InChIKeySAFJTUOCXKFFHE-UHFFFAOYSA-N
MW156.25 g/mol
LogP1.10
Rot. Bonds1

About N-ethenylpyrrolidine-1-carbothioamide

N-ethenylpyrrolidine-1-carbothioamide (PubChem CID 143146556) has the molecular formula C7H12N2S and a molecular weight of 156.25 g/mol. Its IUPAC name is N-ethenylpyrrolidine-1-carbothioamide.

Molecular Properties

Compound NameN-ethenylpyrrolidine-1-carbothioamide
PubChem CID143146556
Molecular FormulaC7H12N2S
Molecular Weight156.25 g/mol
Exact Mass156.07
IUPAC NameN-ethenylpyrrolidine-1-carbothioamide
SMILESC=CNC(=S)N1CCCC1
InChIInChI=1S/C7H12N2S/c1-2-8-7(10)9-5-3-4-6-9/h2H,1,3-6H2,(H,8,10)
InChIKeySAFJTUOCXKFFHE-UHFFFAOYSA-N
XLogP1.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethenylpyrrolidine-1-carbothioamide?
The IUPAC name of N-ethenylpyrrolidine-1-carbothioamide (CID 143146556) is N-ethenylpyrrolidine-1-carbothioamide.
What is the SMILES notation for N-ethenylpyrrolidine-1-carbothioamide?
The canonical SMILES for N-ethenylpyrrolidine-1-carbothioamide is C=CNC(=S)N1CCCC1.
What is the InChIKey of N-ethenylpyrrolidine-1-carbothioamide?
The InChIKey is SAFJTUOCXKFFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S/c1-2-8-7(10)9-5-3-4-6-9/h2H,1,3-6H2,(H,8,10).
What are the key properties of N-ethenylpyrrolidine-1-carbothioamide?
N-ethenylpyrrolidine-1-carbothioamide has a molecular weight of 156.25 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenylpyrrolidine-1-carbothioamide is sourced from PubChem (CID 143146556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).