3-(1-methylsulfanylethyl)aziridin-2-amine

C5H12N2S — CID 123615797

IUPAC3-(1-methylsulfanylethyl)aziridin-2-amine
SMILESCSC(C)C1NC1N
InChIInChI=1S/C5H12N2S/c1-3(8-2)4-5(6)7-4/h3-5,7H,6H2,1-2H3
InChIKeyISLAQJUWZFFWFJ-UHFFFAOYSA-N
MW132.23 g/mol
LogP-0.01
Rot. Bonds2

About 3-(1-methylsulfanylethyl)aziridin-2-amine

3-(1-methylsulfanylethyl)aziridin-2-amine (PubChem CID 123615797) has the molecular formula C5H12N2S and a molecular weight of 132.23 g/mol. Its IUPAC name is 3-(1-methylsulfanylethyl)aziridin-2-amine.

Molecular Properties

Compound Name3-(1-methylsulfanylethyl)aziridin-2-amine
PubChem CID123615797
Molecular FormulaC5H12N2S
Molecular Weight132.23 g/mol
Exact Mass132.07
IUPAC Name3-(1-methylsulfanylethyl)aziridin-2-amine
SMILESCSC(C)C1NC1N
InChIInChI=1S/C5H12N2S/c1-3(8-2)4-5(6)7-4/h3-5,7H,6H2,1-2H3
InChIKeyISLAQJUWZFFWFJ-UHFFFAOYSA-N
XLogP-0.01
TPSA47.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylsulfanylethyl)aziridin-2-amine?
The IUPAC name of 3-(1-methylsulfanylethyl)aziridin-2-amine (CID 123615797) is 3-(1-methylsulfanylethyl)aziridin-2-amine.
What is the SMILES notation for 3-(1-methylsulfanylethyl)aziridin-2-amine?
The canonical SMILES for 3-(1-methylsulfanylethyl)aziridin-2-amine is CSC(C)C1NC1N.
What is the InChIKey of 3-(1-methylsulfanylethyl)aziridin-2-amine?
The InChIKey is ISLAQJUWZFFWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2S/c1-3(8-2)4-5(6)7-4/h3-5,7H,6H2,1-2H3.
What are the key properties of 3-(1-methylsulfanylethyl)aziridin-2-amine?
3-(1-methylsulfanylethyl)aziridin-2-amine has a molecular weight of 132.23 g/mol, XLogP of -0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylsulfanylethyl)aziridin-2-amine is sourced from PubChem (CID 123615797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).