1-methylsulfonylazetidin-3-amine

C4H10N2O2S — CID 63766018

IUPAC1-methylsulfonylazetidin-3-amine
SMILESCS(=O)(=O)N1CC(N)C1
InChIInChI=1S/C4H10N2O2S/c1-9(7,8)6-2-4(5)3-6/h4H,2-3,5H2,1H3
InChIKeyAUJHZIGJKOITDS-UHFFFAOYSA-N
MW150.20 g/mol
LogP-1.41
Rot. Bonds1

About 1-methylsulfonylazetidin-3-amine

1-methylsulfonylazetidin-3-amine (PubChem CID 63766018) has the molecular formula C4H10N2O2S and a molecular weight of 150.20 g/mol. Its IUPAC name is 1-methylsulfonylazetidin-3-amine.

Molecular Properties

Compound Name1-methylsulfonylazetidin-3-amine
PubChem CID63766018
Molecular FormulaC4H10N2O2S
Molecular Weight150.20 g/mol
Exact Mass150.05
IUPAC Name1-methylsulfonylazetidin-3-amine
SMILESCS(=O)(=O)N1CC(N)C1
InChIInChI=1S/C4H10N2O2S/c1-9(7,8)6-2-4(5)3-6/h4H,2-3,5H2,1H3
InChIKeyAUJHZIGJKOITDS-UHFFFAOYSA-N
XLogP-1.41
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.20
LogP ≤ 5-1.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonylazetidin-3-amine?
The IUPAC name of 1-methylsulfonylazetidin-3-amine (CID 63766018) is 1-methylsulfonylazetidin-3-amine.
What is the SMILES notation for 1-methylsulfonylazetidin-3-amine?
The canonical SMILES for 1-methylsulfonylazetidin-3-amine is CS(=O)(=O)N1CC(N)C1.
What is the InChIKey of 1-methylsulfonylazetidin-3-amine?
The InChIKey is AUJHZIGJKOITDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O2S/c1-9(7,8)6-2-4(5)3-6/h4H,2-3,5H2,1H3.
What are the key properties of 1-methylsulfonylazetidin-3-amine?
1-methylsulfonylazetidin-3-amine has a molecular weight of 150.20 g/mol, XLogP of -1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonylazetidin-3-amine is sourced from PubChem (CID 63766018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).