3-amino-N,N-dimethylazetidine-1-sulfonamide

C5H13N3O2S — CID 63765076

IUPAC3-amino-N,N-dimethylazetidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CC(N)C1
InChIInChI=1S/C5H13N3O2S/c1-7(2)11(9,10)8-3-5(6)4-8/h5H,3-4,6H2,1-2H3
InChIKeyOSKZFYJUDRKLIC-UHFFFAOYSA-N
MW179.24 g/mol
LogP-1.56
Rot. Bonds2

About 3-amino-N,N-dimethylazetidine-1-sulfonamide

3-amino-N,N-dimethylazetidine-1-sulfonamide (PubChem CID 63765076) has the molecular formula C5H13N3O2S and a molecular weight of 179.24 g/mol. Its IUPAC name is 3-amino-N,N-dimethylazetidine-1-sulfonamide.

Molecular Properties

Compound Name3-amino-N,N-dimethylazetidine-1-sulfonamide
PubChem CID63765076
Molecular FormulaC5H13N3O2S
Molecular Weight179.24 g/mol
Exact Mass179.07
IUPAC Name3-amino-N,N-dimethylazetidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CC(N)C1
InChIInChI=1S/C5H13N3O2S/c1-7(2)11(9,10)8-3-5(6)4-8/h5H,3-4,6H2,1-2H3
InChIKeyOSKZFYJUDRKLIC-UHFFFAOYSA-N
XLogP-1.56
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 5-1.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N-dimethylazetidine-1-sulfonamide?
The IUPAC name of 3-amino-N,N-dimethylazetidine-1-sulfonamide (CID 63765076) is 3-amino-N,N-dimethylazetidine-1-sulfonamide.
What is the SMILES notation for 3-amino-N,N-dimethylazetidine-1-sulfonamide?
The canonical SMILES for 3-amino-N,N-dimethylazetidine-1-sulfonamide is CN(C)S(=O)(=O)N1CC(N)C1.
What is the InChIKey of 3-amino-N,N-dimethylazetidine-1-sulfonamide?
The InChIKey is OSKZFYJUDRKLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3O2S/c1-7(2)11(9,10)8-3-5(6)4-8/h5H,3-4,6H2,1-2H3.
What are the key properties of 3-amino-N,N-dimethylazetidine-1-sulfonamide?
3-amino-N,N-dimethylazetidine-1-sulfonamide has a molecular weight of 179.24 g/mol, XLogP of -1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N-dimethylazetidine-1-sulfonamide is sourced from PubChem (CID 63765076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).