3-methylsulfonylpyrrolidin-1-amine

C5H12N2O2S — CID 77230479

IUPAC3-methylsulfonylpyrrolidin-1-amine
SMILESCS(=O)(=O)C1CCN(N)C1
InChIInChI=1S/C5H12N2O2S/c1-10(8,9)5-2-3-7(6)4-5/h5H,2-4,6H2,1H3
InChIKeyCBDHERIYHJCWTP-UHFFFAOYSA-N
MW164.23 g/mol
LogP-1.02
Rot. Bonds1

About 3-methylsulfonylpyrrolidin-1-amine

3-methylsulfonylpyrrolidin-1-amine (PubChem CID 77230479) has the molecular formula C5H12N2O2S and a molecular weight of 164.23 g/mol. Its IUPAC name is 3-methylsulfonylpyrrolidin-1-amine.

Molecular Properties

Compound Name3-methylsulfonylpyrrolidin-1-amine
PubChem CID77230479
Molecular FormulaC5H12N2O2S
Molecular Weight164.23 g/mol
Exact Mass164.06
IUPAC Name3-methylsulfonylpyrrolidin-1-amine
SMILESCS(=O)(=O)C1CCN(N)C1
InChIInChI=1S/C5H12N2O2S/c1-10(8,9)5-2-3-7(6)4-5/h5H,2-4,6H2,1H3
InChIKeyCBDHERIYHJCWTP-UHFFFAOYSA-N
XLogP-1.02
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
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 ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonylpyrrolidin-1-amine?
The IUPAC name of 3-methylsulfonylpyrrolidin-1-amine (CID 77230479) is 3-methylsulfonylpyrrolidin-1-amine.
What is the SMILES notation for 3-methylsulfonylpyrrolidin-1-amine?
The canonical SMILES for 3-methylsulfonylpyrrolidin-1-amine is CS(=O)(=O)C1CCN(N)C1.
What is the InChIKey of 3-methylsulfonylpyrrolidin-1-amine?
The InChIKey is CBDHERIYHJCWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2S/c1-10(8,9)5-2-3-7(6)4-5/h5H,2-4,6H2,1H3.
What are the key properties of 3-methylsulfonylpyrrolidin-1-amine?
3-methylsulfonylpyrrolidin-1-amine has a molecular weight of 164.23 g/mol, XLogP of -1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonylpyrrolidin-1-amine is sourced from PubChem (CID 77230479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).