1-(5-methylthiolan-3-yl)pyrrolidin-2-imine

C9H16N2S — CID 131000652

IUPAC1-(5-methylthiolan-3-yl)pyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1C1CSC(C)C1
InChIInChI=1S/C9H16N2S/c1-7-5-8(6-12-7)11-4-2-3-9(11)10/h7-8,10H,2-6H2,1H3/b10-9+
InChIKeyPLLWVGJDQCPHHU-MDZDMXLPSA-N
MW184.31 g/mol
LogP1.95
Rot. Bonds1

About 1-(5-methylthiolan-3-yl)pyrrolidin-2-imine

1-(5-methylthiolan-3-yl)pyrrolidin-2-imine (PubChem CID 131000652) has the molecular formula C9H16N2S and a molecular weight of 184.31 g/mol. Its IUPAC name is 1-(5-methylthiolan-3-yl)pyrrolidin-2-imine.

Molecular Properties

Compound Name1-(5-methylthiolan-3-yl)pyrrolidin-2-imine
PubChem CID131000652
Molecular FormulaC9H16N2S
Molecular Weight184.31 g/mol
Exact Mass184.10
IUPAC Name1-(5-methylthiolan-3-yl)pyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1C1CSC(C)C1
InChIInChI=1S/C9H16N2S/c1-7-5-8(6-12-7)11-4-2-3-9(11)10/h7-8,10H,2-6H2,1H3/b10-9+
InChIKeyPLLWVGJDQCPHHU-MDZDMXLPSA-N
XLogP1.95
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 51.95
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-(5-methylthiolan-3-yl)pyrrolidin-2-imine?
The IUPAC name of 1-(5-methylthiolan-3-yl)pyrrolidin-2-imine (CID 131000652) is 1-(5-methylthiolan-3-yl)pyrrolidin-2-imine.
What is the SMILES notation for 1-(5-methylthiolan-3-yl)pyrrolidin-2-imine?
The canonical SMILES for 1-(5-methylthiolan-3-yl)pyrrolidin-2-imine is [H]/N=C1\CCCN1C1CSC(C)C1.
What is the InChIKey of 1-(5-methylthiolan-3-yl)pyrrolidin-2-imine?
The InChIKey is PLLWVGJDQCPHHU-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H16N2S/c1-7-5-8(6-12-7)11-4-2-3-9(11)10/h7-8,10H,2-6H2,1H3/b10-9+.
What are the key properties of 1-(5-methylthiolan-3-yl)pyrrolidin-2-imine?
1-(5-methylthiolan-3-yl)pyrrolidin-2-imine has a molecular weight of 184.31 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylthiolan-3-yl)pyrrolidin-2-imine is sourced from PubChem (CID 131000652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).