2-(1-methylsulfonylcyclopropyl)ethanamine

C6H13NO2S — CID 115012873

IUPAC2-(1-methylsulfonylcyclopropyl)ethanamine
SMILESCS(=O)(=O)C1(CCN)CC1
InChIInChI=1S/C6H13NO2S/c1-10(8,9)6(2-3-6)4-5-7/h2-5,7H2,1H3
InChIKeyFLFDXTCNQNJEDG-UHFFFAOYSA-N
MW163.24 g/mol
LogP-0.09
Rot. Bonds3

About 2-(1-methylsulfonylcyclopropyl)ethanamine

2-(1-methylsulfonylcyclopropyl)ethanamine (PubChem CID 115012873) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is 2-(1-methylsulfonylcyclopropyl)ethanamine.

Molecular Properties

Compound Name2-(1-methylsulfonylcyclopropyl)ethanamine
PubChem CID115012873
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC Name2-(1-methylsulfonylcyclopropyl)ethanamine
SMILESCS(=O)(=O)C1(CCN)CC1
InChIInChI=1S/C6H13NO2S/c1-10(8,9)6(2-3-6)4-5-7/h2-5,7H2,1H3
InChIKeyFLFDXTCNQNJEDG-UHFFFAOYSA-N
XLogP-0.09
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylsulfonylcyclopropyl)ethanamine?
The IUPAC name of 2-(1-methylsulfonylcyclopropyl)ethanamine (CID 115012873) is 2-(1-methylsulfonylcyclopropyl)ethanamine.
What is the SMILES notation for 2-(1-methylsulfonylcyclopropyl)ethanamine?
The canonical SMILES for 2-(1-methylsulfonylcyclopropyl)ethanamine is CS(=O)(=O)C1(CCN)CC1.
What is the InChIKey of 2-(1-methylsulfonylcyclopropyl)ethanamine?
The InChIKey is FLFDXTCNQNJEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S/c1-10(8,9)6(2-3-6)4-5-7/h2-5,7H2,1H3.
What are the key properties of 2-(1-methylsulfonylcyclopropyl)ethanamine?
2-(1-methylsulfonylcyclopropyl)ethanamine has a molecular weight of 163.24 g/mol, XLogP of -0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylsulfonylcyclopropyl)ethanamine is sourced from PubChem (CID 115012873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).