3-methylazetidine-1-sulfonamide

C4H10N2O2S — CID 71487580

IUPAC3-methylazetidine-1-sulfonamide
SMILESCC1CN(S(N)(=O)=O)C1
InChIInChI=1S/C4H10N2O2S/c1-4-2-6(3-4)9(5,7)8/h4H,2-3H2,1H3,(H2,5,7,8)
InChIKeyAVSGFRVSZZIUNB-UHFFFAOYSA-N
MW150.20 g/mol
LogP-0.86
Rot. Bonds1

About 3-methylazetidine-1-sulfonamide

3-methylazetidine-1-sulfonamide (PubChem CID 71487580) has the molecular formula C4H10N2O2S and a molecular weight of 150.20 g/mol. Its IUPAC name is 3-methylazetidine-1-sulfonamide.

Molecular Properties

Compound Name3-methylazetidine-1-sulfonamide
PubChem CID71487580
Molecular FormulaC4H10N2O2S
Molecular Weight150.20 g/mol
Exact Mass150.05
IUPAC Name3-methylazetidine-1-sulfonamide
SMILESCC1CN(S(N)(=O)=O)C1
InChIInChI=1S/C4H10N2O2S/c1-4-2-6(3-4)9(5,7)8/h4H,2-3H2,1H3,(H2,5,7,8)
InChIKeyAVSGFRVSZZIUNB-UHFFFAOYSA-N
XLogP-0.86
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 ≤ 5-0.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methylazetidine-1-sulfonamide?
The IUPAC name of 3-methylazetidine-1-sulfonamide (CID 71487580) is 3-methylazetidine-1-sulfonamide.
What is the SMILES notation for 3-methylazetidine-1-sulfonamide?
The canonical SMILES for 3-methylazetidine-1-sulfonamide is CC1CN(S(N)(=O)=O)C1.
What is the InChIKey of 3-methylazetidine-1-sulfonamide?
The InChIKey is AVSGFRVSZZIUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O2S/c1-4-2-6(3-4)9(5,7)8/h4H,2-3H2,1H3,(H2,5,7,8).
What are the key properties of 3-methylazetidine-1-sulfonamide?
3-methylazetidine-1-sulfonamide has a molecular weight of 150.20 g/mol, XLogP of -0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylazetidine-1-sulfonamide is sourced from PubChem (CID 71487580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).