N-methyl-2-(thiiran-2-yl)ethanamine

C5H11NS — CID 89323504

IUPACN-methyl-2-(thiiran-2-yl)ethanamine
SMILESCNCCC1CS1
InChIInChI=1S/C5H11NS/c1-6-3-2-5-4-7-5/h5-6H,2-4H2,1H3
InChIKeyXPSMXULANFZQBP-UHFFFAOYSA-N
MW117.22 g/mol
LogP0.71
Rot. Bonds3

About N-methyl-2-(thiiran-2-yl)ethanamine

N-methyl-2-(thiiran-2-yl)ethanamine (PubChem CID 89323504) has the molecular formula C5H11NS and a molecular weight of 117.22 g/mol. Its IUPAC name is N-methyl-2-(thiiran-2-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(thiiran-2-yl)ethanamine
PubChem CID89323504
Molecular FormulaC5H11NS
Molecular Weight117.22 g/mol
Exact Mass117.06
IUPAC NameN-methyl-2-(thiiran-2-yl)ethanamine
SMILESCNCCC1CS1
InChIInChI=1S/C5H11NS/c1-6-3-2-5-4-7-5/h5-6H,2-4H2,1H3
InChIKeyXPSMXULANFZQBP-UHFFFAOYSA-N
XLogP0.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.22
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-methyl-2-(thiiran-2-yl)ethanamine?
The IUPAC name of N-methyl-2-(thiiran-2-yl)ethanamine (CID 89323504) is N-methyl-2-(thiiran-2-yl)ethanamine.
What is the SMILES notation for N-methyl-2-(thiiran-2-yl)ethanamine?
The canonical SMILES for N-methyl-2-(thiiran-2-yl)ethanamine is CNCCC1CS1.
What is the InChIKey of N-methyl-2-(thiiran-2-yl)ethanamine?
The InChIKey is XPSMXULANFZQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NS/c1-6-3-2-5-4-7-5/h5-6H,2-4H2,1H3.
What are the key properties of N-methyl-2-(thiiran-2-yl)ethanamine?
N-methyl-2-(thiiran-2-yl)ethanamine has a molecular weight of 117.22 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(thiiran-2-yl)ethanamine is sourced from PubChem (CID 89323504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).