N-(azetidin-1-yl)methanesulfonamide

C4H10N2O2S — CID 89407478

IUPACN-(azetidin-1-yl)methanesulfonamide
SMILESCS(=O)(=O)NN1CCC1
InChIInChI=1S/C4H10N2O2S/c1-9(7,8)5-6-3-2-4-6/h5H,2-4H2,1H3
InChIKeySKTOFFACBBZQMR-UHFFFAOYSA-N
MW150.20 g/mol
LogP-0.84
Rot. Bonds2

About N-(azetidin-1-yl)methanesulfonamide

N-(azetidin-1-yl)methanesulfonamide (PubChem CID 89407478) has the molecular formula C4H10N2O2S and a molecular weight of 150.20 g/mol. Its IUPAC name is N-(azetidin-1-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(azetidin-1-yl)methanesulfonamide
PubChem CID89407478
Molecular FormulaC4H10N2O2S
Molecular Weight150.20 g/mol
Exact Mass150.05
IUPAC NameN-(azetidin-1-yl)methanesulfonamide
SMILESCS(=O)(=O)NN1CCC1
InChIInChI=1S/C4H10N2O2S/c1-9(7,8)5-6-3-2-4-6/h5H,2-4H2,1H3
InChIKeySKTOFFACBBZQMR-UHFFFAOYSA-N
XLogP-0.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.20
LogP ≤ 5-0.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(azetidin-1-yl)methanesulfonamide?
The IUPAC name of N-(azetidin-1-yl)methanesulfonamide (CID 89407478) is N-(azetidin-1-yl)methanesulfonamide.
What is the SMILES notation for N-(azetidin-1-yl)methanesulfonamide?
The canonical SMILES for N-(azetidin-1-yl)methanesulfonamide is CS(=O)(=O)NN1CCC1.
What is the InChIKey of N-(azetidin-1-yl)methanesulfonamide?
The InChIKey is SKTOFFACBBZQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O2S/c1-9(7,8)5-6-3-2-4-6/h5H,2-4H2,1H3.
What are the key properties of N-(azetidin-1-yl)methanesulfonamide?
N-(azetidin-1-yl)methanesulfonamide has a molecular weight of 150.20 g/mol, XLogP of -0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-1-yl)methanesulfonamide is sourced from PubChem (CID 89407478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).