2-methylazetidine-1-sulfonamide

C4H10N2O2S — CID 145368138

IUPAC2-methylazetidine-1-sulfonamide
SMILESCC1CCN1S(N)(=O)=O
InChIInChI=1S/C4H10N2O2S/c1-4-2-3-6(4)9(5,7)8/h4H,2-3H2,1H3,(H2,5,7,8)
InChIKeyCJDDGQMYDSBBDD-UHFFFAOYSA-N
MW150.20 g/mol
LogP-0.72
Rot. Bonds1

About 2-methylazetidine-1-sulfonamide

2-methylazetidine-1-sulfonamide (PubChem CID 145368138) has the molecular formula C4H10N2O2S and a molecular weight of 150.20 g/mol. Its IUPAC name is 2-methylazetidine-1-sulfonamide.

Molecular Properties

Compound Name2-methylazetidine-1-sulfonamide
PubChem CID145368138
Molecular FormulaC4H10N2O2S
Molecular Weight150.20 g/mol
Exact Mass150.05
IUPAC Name2-methylazetidine-1-sulfonamide
SMILESCC1CCN1S(N)(=O)=O
InChIInChI=1S/C4H10N2O2S/c1-4-2-3-6(4)9(5,7)8/h4H,2-3H2,1H3,(H2,5,7,8)
InChIKeyCJDDGQMYDSBBDD-UHFFFAOYSA-N
XLogP-0.72
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.20
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylazetidine-1-sulfonamide?
The IUPAC name of 2-methylazetidine-1-sulfonamide (CID 145368138) is 2-methylazetidine-1-sulfonamide.
What is the SMILES notation for 2-methylazetidine-1-sulfonamide?
The canonical SMILES for 2-methylazetidine-1-sulfonamide is CC1CCN1S(N)(=O)=O.
What is the InChIKey of 2-methylazetidine-1-sulfonamide?
The InChIKey is CJDDGQMYDSBBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O2S/c1-4-2-3-6(4)9(5,7)8/h4H,2-3H2,1H3,(H2,5,7,8).
What are the key properties of 2-methylazetidine-1-sulfonamide?
2-methylazetidine-1-sulfonamide has a molecular weight of 150.20 g/mol, XLogP of -0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylazetidine-1-sulfonamide is sourced from PubChem (CID 145368138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).