methyl pyrrolidine-1-carboximidothioate

C6H12N2S — CID 8006838

IUPACmethyl pyrrolidine-1-carboximidothioate
SMILES[H]/N=C(\SC)N1CCCC1
InChIInChI=1S/C6H12N2S/c1-9-6(7)8-4-2-3-5-8/h7H,2-5H2,1H3/b7-6-
InChIKeyVSUWBNNRTHPWKZ-SREVYHEPSA-N
MW144.24 g/mol
LogP1.38
Rot. Bonds

About methyl pyrrolidine-1-carboximidothioate

methyl pyrrolidine-1-carboximidothioate (PubChem CID 8006838) has the molecular formula C6H12N2S and a molecular weight of 144.24 g/mol. Its IUPAC name is methyl pyrrolidine-1-carboximidothioate.

Molecular Properties

Compound Namemethyl pyrrolidine-1-carboximidothioate
PubChem CID8006838
Molecular FormulaC6H12N2S
Molecular Weight144.24 g/mol
Exact Mass144.07
IUPAC Namemethyl pyrrolidine-1-carboximidothioate
SMILES[H]/N=C(\SC)N1CCCC1
InChIInChI=1S/C6H12N2S/c1-9-6(7)8-4-2-3-5-8/h7H,2-5H2,1H3/b7-6-
InChIKeyVSUWBNNRTHPWKZ-SREVYHEPSA-N
XLogP1.38
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-Propyl-1,3-thiazolidin-2-imine;hydrobromide
CID 90654238
2-Imino-3,5-dimethylthiazolidine
CID 5131681
3-Ethyl-1,3-thiazolidin-2-imine
CID 216947
Methyl 3-fluoropyrrolidine-1-carboximidothioate
CID 123348675
Methyl 3,3-difluoropyrrolidine-1-carboximidothioate
CID 123817072
methyl (3R)-3-fluoropyrrolidine-1-carboximidothioate
CID 144377843
2-Imino-3,5-dimethylthiazolidine hydroiodide
CID 16241292
2-Pyrrolidin-1-ylethyl carbamimidothioate
CID 116326
3-Propylthiazolidin-2-imine
CID 45087999
3-Ethyl-5-methylthiazolidin-2-imine
CID 3694509
2-Imino-3-n-butylthiazolidine
CID 21475745
2-Imino-3-n-butylthiazolidine hydroiodide
CID 21475767

Frequently Asked Questions

What is the IUPAC name of methyl pyrrolidine-1-carboximidothioate?
The IUPAC name of methyl pyrrolidine-1-carboximidothioate (CID 8006838) is methyl pyrrolidine-1-carboximidothioate.
What is the SMILES notation for methyl pyrrolidine-1-carboximidothioate?
The canonical SMILES for methyl pyrrolidine-1-carboximidothioate is [H]/N=C(\SC)N1CCCC1.
What is the InChIKey of methyl pyrrolidine-1-carboximidothioate?
The InChIKey is VSUWBNNRTHPWKZ-SREVYHEPSA-N. The full InChI is InChI=1S/C6H12N2S/c1-9-6(7)8-4-2-3-5-8/h7H,2-5H2,1H3/b7-6-.
What are the key properties of methyl pyrrolidine-1-carboximidothioate?
methyl pyrrolidine-1-carboximidothioate has a molecular weight of 144.24 g/mol, XLogP of 1.38, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl pyrrolidine-1-carboximidothioate is sourced from PubChem (CID 8006838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).