1-methylsulfonylpyrrolidin-3-amine

C5H12N2O2S — CID 53393253

IUPAC1-methylsulfonylpyrrolidin-3-amine
SMILESCS(=O)(=O)N1CCC(N)C1
InChIInChI=1S/C5H12N2O2S/c1-10(8,9)7-3-2-5(6)4-7/h5H,2-4,6H2,1H3
InChIKeyUDYSDVVJHGYAHB-UHFFFAOYSA-N
MW164.23 g/mol
LogP-1.02
Rot. Bonds1

About 1-methylsulfonylpyrrolidin-3-amine

1-methylsulfonylpyrrolidin-3-amine (PubChem CID 53393253) has the molecular formula C5H12N2O2S and a molecular weight of 164.23 g/mol. Its IUPAC name is 1-methylsulfonylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-methylsulfonylpyrrolidin-3-amine
PubChem CID53393253
Molecular FormulaC5H12N2O2S
Molecular Weight164.23 g/mol
Exact Mass164.06
IUPAC Name1-methylsulfonylpyrrolidin-3-amine
SMILESCS(=O)(=O)N1CCC(N)C1
InChIInChI=1S/C5H12N2O2S/c1-10(8,9)7-3-2-5(6)4-7/h5H,2-4,6H2,1H3
InChIKeyUDYSDVVJHGYAHB-UHFFFAOYSA-N
XLogP-1.02
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 5-1.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonylpyrrolidin-3-amine?
The IUPAC name of 1-methylsulfonylpyrrolidin-3-amine (CID 53393253) is 1-methylsulfonylpyrrolidin-3-amine.
What is the SMILES notation for 1-methylsulfonylpyrrolidin-3-amine?
The canonical SMILES for 1-methylsulfonylpyrrolidin-3-amine is CS(=O)(=O)N1CCC(N)C1.
What is the InChIKey of 1-methylsulfonylpyrrolidin-3-amine?
The InChIKey is UDYSDVVJHGYAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2S/c1-10(8,9)7-3-2-5(6)4-7/h5H,2-4,6H2,1H3.
What are the key properties of 1-methylsulfonylpyrrolidin-3-amine?
1-methylsulfonylpyrrolidin-3-amine has a molecular weight of 164.23 g/mol, XLogP of -1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonylpyrrolidin-3-amine is sourced from PubChem (CID 53393253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).