1-sulfamoylazetidine-3-carboxamide

C4H9N3O3S — CID 130786440

IUPAC1-sulfamoylazetidine-3-carboxamide
SMILESNC(=O)C1CN(S(N)(=O)=O)C1
InChIInChI=1S/C4H9N3O3S/c5-4(8)3-1-7(2-3)11(6,9)10/h3H,1-2H2,(H2,5,8)(H2,6,9,10)
InChIKeyMHTWSFYTWUYVEU-UHFFFAOYSA-N
MW179.20 g/mol
LogP-2.39
Rot. Bonds2

About 1-sulfamoylazetidine-3-carboxamide

1-sulfamoylazetidine-3-carboxamide (PubChem CID 130786440) has the molecular formula C4H9N3O3S and a molecular weight of 179.20 g/mol. Its IUPAC name is 1-sulfamoylazetidine-3-carboxamide.

Molecular Properties

Compound Name1-sulfamoylazetidine-3-carboxamide
PubChem CID130786440
Molecular FormulaC4H9N3O3S
Molecular Weight179.20 g/mol
Exact Mass179.04
IUPAC Name1-sulfamoylazetidine-3-carboxamide
SMILESNC(=O)C1CN(S(N)(=O)=O)C1
InChIInChI=1S/C4H9N3O3S/c5-4(8)3-1-7(2-3)11(6,9)10/h3H,1-2H2,(H2,5,8)(H2,6,9,10)
InChIKeyMHTWSFYTWUYVEU-UHFFFAOYSA-N
XLogP-2.39
TPSA106.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.20
LogP ≤ 5-2.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-sulfamoylazetidine-3-carboxamide?
The IUPAC name of 1-sulfamoylazetidine-3-carboxamide (CID 130786440) is 1-sulfamoylazetidine-3-carboxamide.
What is the SMILES notation for 1-sulfamoylazetidine-3-carboxamide?
The canonical SMILES for 1-sulfamoylazetidine-3-carboxamide is NC(=O)C1CN(S(N)(=O)=O)C1.
What is the InChIKey of 1-sulfamoylazetidine-3-carboxamide?
The InChIKey is MHTWSFYTWUYVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3O3S/c5-4(8)3-1-7(2-3)11(6,9)10/h3H,1-2H2,(H2,5,8)(H2,6,9,10).
What are the key properties of 1-sulfamoylazetidine-3-carboxamide?
1-sulfamoylazetidine-3-carboxamide has a molecular weight of 179.20 g/mol, XLogP of -2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-sulfamoylazetidine-3-carboxamide is sourced from PubChem (CID 130786440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).