1-methylazetidine-3-sulfonohydrazide

C4H11N3O2S — CID 134581530

IUPAC1-methylazetidine-3-sulfonohydrazide
SMILESCN1CC(S(=O)(=O)NN)C1
InChIInChI=1S/C4H11N3O2S/c1-7-2-4(3-7)10(8,9)6-5/h4,6H,2-3,5H2,1H3
InChIKeyFDQSFCNSPHJYTH-UHFFFAOYSA-N
MW165.22 g/mol
LogP-1.91
Rot. Bonds2

About 1-methylazetidine-3-sulfonohydrazide

1-methylazetidine-3-sulfonohydrazide (PubChem CID 134581530) has the molecular formula C4H11N3O2S and a molecular weight of 165.22 g/mol. Its IUPAC name is 1-methylazetidine-3-sulfonohydrazide.

Molecular Properties

Compound Name1-methylazetidine-3-sulfonohydrazide
PubChem CID134581530
Molecular FormulaC4H11N3O2S
Molecular Weight165.22 g/mol
Exact Mass165.06
IUPAC Name1-methylazetidine-3-sulfonohydrazide
SMILESCN1CC(S(=O)(=O)NN)C1
InChIInChI=1S/C4H11N3O2S/c1-7-2-4(3-7)10(8,9)6-5/h4,6H,2-3,5H2,1H3
InChIKeyFDQSFCNSPHJYTH-UHFFFAOYSA-N
XLogP-1.91
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
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 ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-Isopropylazetidine-3-sulfonamide
CID 59706214
2-(Azetidin-1-yl)ethanesulfonamide
CID 89215571
3-(Azetidin-1-yl)propane-1-sulfonamide
CID 130159736
1-Ethyl-3-azetidinesulfonamide
CID 137380009
1-propyl-3-Azetidinesulfonamide
CID 137380080
1-methyl-3-Azetidinesulfonamide
CID 137380147
1-(Iodomethyl)azetidine-3-sulfonamide
CID 137380159
1-butyl-3-Azetidinesulfonamide
CID 137403867
(1-Ethylazetidin-3-yl)methanesulfonamide
CID 137500298
2-(Azetidin-1-yl)propane-1-sulfonamide
CID 137516206
(1-Methylazetidin-3-yl)methanesulfonamide
CID 167468977

Frequently Asked Questions

What is the IUPAC name of 1-methylazetidine-3-sulfonohydrazide?
The IUPAC name of 1-methylazetidine-3-sulfonohydrazide (CID 134581530) is 1-methylazetidine-3-sulfonohydrazide.
What is the SMILES notation for 1-methylazetidine-3-sulfonohydrazide?
The canonical SMILES for 1-methylazetidine-3-sulfonohydrazide is CN1CC(S(=O)(=O)NN)C1.
What is the InChIKey of 1-methylazetidine-3-sulfonohydrazide?
The InChIKey is FDQSFCNSPHJYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N3O2S/c1-7-2-4(3-7)10(8,9)6-5/h4,6H,2-3,5H2,1H3.
What are the key properties of 1-methylazetidine-3-sulfonohydrazide?
1-methylazetidine-3-sulfonohydrazide has a molecular weight of 165.22 g/mol, XLogP of -1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylazetidine-3-sulfonohydrazide is sourced from PubChem (CID 134581530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).