3-amino-N-methylazetidine-1-sulfonamide

C4H11N3O2S — CID 114810906

IUPAC3-amino-N-methylazetidine-1-sulfonamide
SMILESCNS(=O)(=O)N1CC(N)C1
InChIInChI=1S/C4H11N3O2S/c1-6-10(8,9)7-2-4(5)3-7/h4,6H,2-3,5H2,1H3
InChIKeyXMTPUEOXUVQIMT-UHFFFAOYSA-N
MW165.22 g/mol
LogP-1.91
Rot. Bonds2

About 3-amino-N-methylazetidine-1-sulfonamide

3-amino-N-methylazetidine-1-sulfonamide (PubChem CID 114810906) has the molecular formula C4H11N3O2S and a molecular weight of 165.22 g/mol. Its IUPAC name is 3-amino-N-methylazetidine-1-sulfonamide.

Molecular Properties

Compound Name3-amino-N-methylazetidine-1-sulfonamide
PubChem CID114810906
Molecular FormulaC4H11N3O2S
Molecular Weight165.22 g/mol
Exact Mass165.06
IUPAC Name3-amino-N-methylazetidine-1-sulfonamide
SMILESCNS(=O)(=O)N1CC(N)C1
InChIInChI=1S/C4H11N3O2S/c1-6-10(8,9)7-2-4(5)3-7/h4,6H,2-3,5H2,1H3
InChIKeyXMTPUEOXUVQIMT-UHFFFAOYSA-N
XLogP-1.91
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.22
LogP ≤ 5-1.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methylazetidine-1-sulfonamide?
The IUPAC name of 3-amino-N-methylazetidine-1-sulfonamide (CID 114810906) is 3-amino-N-methylazetidine-1-sulfonamide.
What is the SMILES notation for 3-amino-N-methylazetidine-1-sulfonamide?
The canonical SMILES for 3-amino-N-methylazetidine-1-sulfonamide is CNS(=O)(=O)N1CC(N)C1.
What is the InChIKey of 3-amino-N-methylazetidine-1-sulfonamide?
The InChIKey is XMTPUEOXUVQIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N3O2S/c1-6-10(8,9)7-2-4(5)3-7/h4,6H,2-3,5H2,1H3.
What are the key properties of 3-amino-N-methylazetidine-1-sulfonamide?
3-amino-N-methylazetidine-1-sulfonamide has a molecular weight of 165.22 g/mol, XLogP of -1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methylazetidine-1-sulfonamide is sourced from PubChem (CID 114810906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).