1-(3-methylsulfanylpyrrolidin-1-yl)ethanimine

C7H14N2S — CID 20766412

IUPAC1-(3-methylsulfanylpyrrolidin-1-yl)ethanimine
SMILES[H]/N=C(\C)N1CCC(SC)C1
InChIInChI=1S/C7H14N2S/c1-6(8)9-4-3-7(5-9)10-2/h7-8H,3-5H2,1-2H3/b8-6+
InChIKeyBTBNFXRDVXHCHC-SOFGYWHQSA-N
MW158.27 g/mol
LogP1.42
Rot. Bonds1

About 1-(3-methylsulfanylpyrrolidin-1-yl)ethanimine

1-(3-methylsulfanylpyrrolidin-1-yl)ethanimine (PubChem CID 20766412) has the molecular formula C7H14N2S and a molecular weight of 158.27 g/mol. Its IUPAC name is 1-(3-methylsulfanylpyrrolidin-1-yl)ethanimine.

Molecular Properties

Compound Name1-(3-methylsulfanylpyrrolidin-1-yl)ethanimine
PubChem CID20766412
Molecular FormulaC7H14N2S
Molecular Weight158.27 g/mol
Exact Mass158.09
IUPAC Name1-(3-methylsulfanylpyrrolidin-1-yl)ethanimine
SMILES[H]/N=C(\C)N1CCC(SC)C1
InChIInChI=1S/C7H14N2S/c1-6(8)9-4-3-7(5-9)10-2/h7-8H,3-5H2,1-2H3/b8-6+
InChIKeyBTBNFXRDVXHCHC-SOFGYWHQSA-N
XLogP1.42
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 51.42
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

1-[2-(Trifluoromethylsulfanyl)ethyl]pyrrolidin-2-imine
CID 106429869
2-Pyrrolidin-1-yl-1,3-thiazol-4-imine
CID 820809
1-Ethanimidoylpyrrolidine-3-thiol
CID 13324664
2-Imino-2-pyrrolidin-1-ylethanethiol;hydrochloride
CID 20137095
2-Imino-3-n-butylthiazolidine
CID 21475745
1-(1,3-Thiazolidin-3-yl)ethanimine
CID 59020682
1-[(3S)-3-methylsulfanylpyrrolidin-1-yl]ethanimine
CID 59990578
3-Butyl-5-ethyl-1,3-thiazolidin-2-imine
CID 67281116
3-Propanimidoyl-1,3-thiazolidine-2-thione
CID 123281835
1-(3-Ethylsulfanylpyrrolidin-1-yl)ethanimine
CID 130813452
Ethane;(3-ethylsulfanylpyrrolidin-1-yl)methanimine
CID 141864682
(1-Ethanimidoylpyrrolidin-3-yl)methanethiol
CID 141914328

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylsulfanylpyrrolidin-1-yl)ethanimine?
The IUPAC name of 1-(3-methylsulfanylpyrrolidin-1-yl)ethanimine (CID 20766412) is 1-(3-methylsulfanylpyrrolidin-1-yl)ethanimine.
What is the SMILES notation for 1-(3-methylsulfanylpyrrolidin-1-yl)ethanimine?
The canonical SMILES for 1-(3-methylsulfanylpyrrolidin-1-yl)ethanimine is [H]/N=C(\C)N1CCC(SC)C1.
What is the InChIKey of 1-(3-methylsulfanylpyrrolidin-1-yl)ethanimine?
The InChIKey is BTBNFXRDVXHCHC-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H14N2S/c1-6(8)9-4-3-7(5-9)10-2/h7-8H,3-5H2,1-2H3/b8-6+.
What are the key properties of 1-(3-methylsulfanylpyrrolidin-1-yl)ethanimine?
1-(3-methylsulfanylpyrrolidin-1-yl)ethanimine has a molecular weight of 158.27 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylsulfanylpyrrolidin-1-yl)ethanimine is sourced from PubChem (CID 20766412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).