3,3-dimethylazetidine-1-sulfonamide

C5H12N2O2S — CID 131155386

IUPAC3,3-dimethylazetidine-1-sulfonamide
SMILESCC1(C)CN(S(N)(=O)=O)C1
InChIInChI=1S/C5H12N2O2S/c1-5(2)3-7(4-5)10(6,8)9/h3-4H2,1-2H3,(H2,6,8,9)
InChIKeyJBYJBXWTZRAUNK-UHFFFAOYSA-N
MW164.23 g/mol
LogP-0.47
Rot. Bonds1

About 3,3-dimethylazetidine-1-sulfonamide

3,3-dimethylazetidine-1-sulfonamide (PubChem CID 131155386) has the molecular formula C5H12N2O2S and a molecular weight of 164.23 g/mol. Its IUPAC name is 3,3-dimethylazetidine-1-sulfonamide.

Molecular Properties

Compound Name3,3-dimethylazetidine-1-sulfonamide
PubChem CID131155386
Molecular FormulaC5H12N2O2S
Molecular Weight164.23 g/mol
Exact Mass164.06
IUPAC Name3,3-dimethylazetidine-1-sulfonamide
SMILESCC1(C)CN(S(N)(=O)=O)C1
InChIInChI=1S/C5H12N2O2S/c1-5(2)3-7(4-5)10(6,8)9/h3-4H2,1-2H3,(H2,6,8,9)
InChIKeyJBYJBXWTZRAUNK-UHFFFAOYSA-N
XLogP-0.47
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylazetidine-1-sulfonamide?
The IUPAC name of 3,3-dimethylazetidine-1-sulfonamide (CID 131155386) is 3,3-dimethylazetidine-1-sulfonamide.
What is the SMILES notation for 3,3-dimethylazetidine-1-sulfonamide?
The canonical SMILES for 3,3-dimethylazetidine-1-sulfonamide is CC1(C)CN(S(N)(=O)=O)C1.
What is the InChIKey of 3,3-dimethylazetidine-1-sulfonamide?
The InChIKey is JBYJBXWTZRAUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2S/c1-5(2)3-7(4-5)10(6,8)9/h3-4H2,1-2H3,(H2,6,8,9).
What are the key properties of 3,3-dimethylazetidine-1-sulfonamide?
3,3-dimethylazetidine-1-sulfonamide has a molecular weight of 164.23 g/mol, XLogP of -0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylazetidine-1-sulfonamide is sourced from PubChem (CID 131155386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).