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

C5H14ClN3O2S — CID 126809377

IUPAC3-amino-N,N-dimethylazetidine-1-sulfonamide;hydrochloride
SMILESCN(C)S(=O)(=O)N1CC(N)C1.Cl
InChIInChI=1S/C5H13N3O2S.ClH/c1-7(2)11(9,10)8-3-5(6)4-8;/h5H,3-4,6H2,1-2H3;1H
InChIKeyXLJDLLFFMFVAJM-UHFFFAOYSA-N
MW215.71 g/mol
LogP-1.14
Rot. Bonds2

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

3-amino-N,N-dimethylazetidine-1-sulfonamide;hydrochloride (PubChem CID 126809377) has the molecular formula C5H14ClN3O2S and a molecular weight of 215.71 g/mol. Its IUPAC name is 3-amino-N,N-dimethylazetidine-1-sulfonamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N,N-dimethylazetidine-1-sulfonamide;hydrochloride
PubChem CID126809377
Molecular FormulaC5H14ClN3O2S
Molecular Weight215.71 g/mol
Exact Mass215.05
IUPAC Name3-amino-N,N-dimethylazetidine-1-sulfonamide;hydrochloride
SMILESCN(C)S(=O)(=O)N1CC(N)C1.Cl
InChIInChI=1S/C5H13N3O2S.ClH/c1-7(2)11(9,10)8-3-5(6)4-8;/h5H,3-4,6H2,1-2H3;1H
InChIKeyXLJDLLFFMFVAJM-UHFFFAOYSA-N
XLogP-1.14
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.71
LogP ≤ 5-1.14
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;hydrochloride?
The IUPAC name of 3-amino-N,N-dimethylazetidine-1-sulfonamide;hydrochloride (CID 126809377) is 3-amino-N,N-dimethylazetidine-1-sulfonamide;hydrochloride.
What is the SMILES notation for 3-amino-N,N-dimethylazetidine-1-sulfonamide;hydrochloride?
The canonical SMILES for 3-amino-N,N-dimethylazetidine-1-sulfonamide;hydrochloride is CN(C)S(=O)(=O)N1CC(N)C1.Cl.
What is the InChIKey of 3-amino-N,N-dimethylazetidine-1-sulfonamide;hydrochloride?
The InChIKey is XLJDLLFFMFVAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3O2S.ClH/c1-7(2)11(9,10)8-3-5(6)4-8;/h5H,3-4,6H2,1-2H3;1H.
What are the key properties of 3-amino-N,N-dimethylazetidine-1-sulfonamide;hydrochloride?
3-amino-N,N-dimethylazetidine-1-sulfonamide;hydrochloride has a molecular weight of 215.71 g/mol, XLogP of -1.14, 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;hydrochloride is sourced from PubChem (CID 126809377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).