1-(2-methylsulfanylethyl)pyrrolidin-2-imine

C7H14N2S — CID 63966554

IUPAC1-(2-methylsulfanylethyl)pyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1CCSC
InChIInChI=1S/C7H14N2S/c1-10-6-5-9-4-2-3-7(9)8/h8H,2-6H2,1H3/b8-7+
InChIKeyJXIQXMKAPZQWJV-BQYQJAHWSA-N
MW158.27 g/mol
LogP1.42
Rot. Bonds3

About 1-(2-methylsulfanylethyl)pyrrolidin-2-imine

1-(2-methylsulfanylethyl)pyrrolidin-2-imine (PubChem CID 63966554) has the molecular formula C7H14N2S and a molecular weight of 158.27 g/mol. Its IUPAC name is 1-(2-methylsulfanylethyl)pyrrolidin-2-imine.

Molecular Properties

Compound Name1-(2-methylsulfanylethyl)pyrrolidin-2-imine
PubChem CID63966554
Molecular FormulaC7H14N2S
Molecular Weight158.27 g/mol
Exact Mass158.09
IUPAC Name1-(2-methylsulfanylethyl)pyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1CCSC
InChIInChI=1S/C7H14N2S/c1-10-6-5-9-4-2-3-7(9)8/h8H,2-6H2,1H3/b8-7+
InChIKeyJXIQXMKAPZQWJV-BQYQJAHWSA-N
XLogP1.42
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfanylethyl)pyrrolidin-2-imine?
The IUPAC name of 1-(2-methylsulfanylethyl)pyrrolidin-2-imine (CID 63966554) is 1-(2-methylsulfanylethyl)pyrrolidin-2-imine.
What is the SMILES notation for 1-(2-methylsulfanylethyl)pyrrolidin-2-imine?
The canonical SMILES for 1-(2-methylsulfanylethyl)pyrrolidin-2-imine is [H]/N=C1\CCCN1CCSC.
What is the InChIKey of 1-(2-methylsulfanylethyl)pyrrolidin-2-imine?
The InChIKey is JXIQXMKAPZQWJV-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H14N2S/c1-10-6-5-9-4-2-3-7(9)8/h8H,2-6H2,1H3/b8-7+.
What are the key properties of 1-(2-methylsulfanylethyl)pyrrolidin-2-imine?
1-(2-methylsulfanylethyl)pyrrolidin-2-imine has a molecular weight of 158.27 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfanylethyl)pyrrolidin-2-imine is sourced from PubChem (CID 63966554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).