1-acetylazetidine-3-sulfonamide

C5H10N2O3S — CID 137380120

IUPAC1-acetylazetidine-3-sulfonamide
SMILESCC(=O)N1CC(S(N)(=O)=O)C1
InChIInChI=1S/C5H10N2O3S/c1-4(8)7-2-5(3-7)11(6,9)10/h5H,2-3H2,1H3,(H2,6,9,10)
InChIKeyPTVXMZACQNTLMR-UHFFFAOYSA-N
MW178.21 g/mol
LogP-1.49
Rot. Bonds1

About 1-acetylazetidine-3-sulfonamide

1-acetylazetidine-3-sulfonamide (PubChem CID 137380120) has the molecular formula C5H10N2O3S and a molecular weight of 178.21 g/mol. Its IUPAC name is 1-acetylazetidine-3-sulfonamide.

Molecular Properties

Compound Name1-acetylazetidine-3-sulfonamide
PubChem CID137380120
Molecular FormulaC5H10N2O3S
Molecular Weight178.21 g/mol
Exact Mass178.04
IUPAC Name1-acetylazetidine-3-sulfonamide
SMILESCC(=O)N1CC(S(N)(=O)=O)C1
InChIInChI=1S/C5H10N2O3S/c1-4(8)7-2-5(3-7)11(6,9)10/h5H,2-3H2,1H3,(H2,6,9,10)
InChIKeyPTVXMZACQNTLMR-UHFFFAOYSA-N
XLogP-1.49
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 5-1.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopentanecarbonyl)azetidine-3-sulfonamide
CID 127799605
1-[3-(2-methylpropylsulfonyl)azetidin-1-yl]ethanone
CID 90594084
N,N-dimethyl-3-sulfamoylpyrrolidine-1-carboxamide
CID 136525151
1-(3-fluoroazetidin-1-yl)ethanone
CID 89181336
ethane;1-(3-methylazetidin-1-yl)ethanone
CID 143998304
1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]ethanone
CID 71809175
(2S)-4-acetyl-2,6-dimethylpiperazine-1-carboxylic acid
CID 175521904
1-(3-amino-4-methylpyrrolidin-1-yl)ethanone
CID 82594406
1-(1-acetylazetidin-3-yl)ethanone;ethane
CID 144882455
(3S)-1-[2-(dimethylamino)acetyl]piperidine-3-sulfonamide
CID 129414224
(1-acetylpiperidin-4-yl)methanesulfonamide
CID 130657862
1-(3,5-dimethyl-4-propan-2-ylpiperazin-1-yl)ethanone
CID 163675775

Frequently Asked Questions

What is the IUPAC name of 1-acetylazetidine-3-sulfonamide?
The IUPAC name of 1-acetylazetidine-3-sulfonamide (CID 137380120) is 1-acetylazetidine-3-sulfonamide.
What is the SMILES notation for 1-acetylazetidine-3-sulfonamide?
The canonical SMILES for 1-acetylazetidine-3-sulfonamide is CC(=O)N1CC(S(N)(=O)=O)C1.
What is the InChIKey of 1-acetylazetidine-3-sulfonamide?
The InChIKey is PTVXMZACQNTLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O3S/c1-4(8)7-2-5(3-7)11(6,9)10/h5H,2-3H2,1H3,(H2,6,9,10).
What are the key properties of 1-acetylazetidine-3-sulfonamide?
1-acetylazetidine-3-sulfonamide has a molecular weight of 178.21 g/mol, XLogP of -1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetylazetidine-3-sulfonamide is sourced from PubChem (CID 137380120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).