[1-(1-methylsulfonylazetidin-3-yl)triazol-4-yl]methanamine

C7H13N5O2S — CID 121208761

IUPAC[1-(1-methylsulfonylazetidin-3-yl)triazol-4-yl]methanamine
SMILESCS(=O)(=O)N1CC(n2cc(CN)nn2)C1
InChIInChI=1S/C7H13N5O2S/c1-15(13,14)11-4-7(5-11)12-3-6(2-8)9-10-12/h3,7H,2,4-5,8H2,1H3
InChIKeyMMPDFKIIXYVSPM-UHFFFAOYSA-N
MW231.28 g/mol
LogP-1.45
Rot. Bonds3

About [1-(1-methylsulfonylazetidin-3-yl)triazol-4-yl]methanamine

[1-(1-methylsulfonylazetidin-3-yl)triazol-4-yl]methanamine (PubChem CID 121208761) has the molecular formula C7H13N5O2S and a molecular weight of 231.28 g/mol. Its IUPAC name is [1-(1-methylsulfonylazetidin-3-yl)triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(1-methylsulfonylazetidin-3-yl)triazol-4-yl]methanamine
PubChem CID121208761
Molecular FormulaC7H13N5O2S
Molecular Weight231.28 g/mol
Exact Mass231.08
IUPAC Name[1-(1-methylsulfonylazetidin-3-yl)triazol-4-yl]methanamine
SMILESCS(=O)(=O)N1CC(n2cc(CN)nn2)C1
InChIInChI=1S/C7H13N5O2S/c1-15(13,14)11-4-7(5-11)12-3-6(2-8)9-10-12/h3,7H,2,4-5,8H2,1H3
InChIKeyMMPDFKIIXYVSPM-UHFFFAOYSA-N
XLogP-1.45
TPSA94.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 5-1.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1-cyclobutyltriazol-4-yl)methanamine
CID 84649674
(1-cyclobutyltriazol-4-yl)methanamine;dihydrochloride
CID 122156702
[1-[(3R)-1-methylsulfonylpiperidin-3-yl]triazol-4-yl]methanol
CID 129496204
[1-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]triazol-4-yl]methanamine
CID 129496227
2-(1-cyclopropyltriazol-4-yl)ethanamine
CID 84649663
1-[(3R)-1-methylsulfonylpyrrolidin-3-yl]triazole-4-carboxylic acid
CID 129494797
4-(4-ethoxy-3-fluorophenyl)-1-(1-methylsulfonylazetidin-3-yl)triazole
CID 166339212
2-[1-(4-methylcyclohexyl)triazol-4-yl]ethanamine
CID 116641962
4-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1-(1-methylsulfonylazetidin-3-yl)triazole
CID 171110664
2-amino-3-(1-cyclohexyltriazol-4-yl)propanoic acid
CID 116735154
4-(bromomethyl)-1-cycloheptyltriazole
CID 82930345
4-(3-chloropropyl)-1-(3-methylsulfonylcyclohexyl)triazole
CID 113374605

Frequently Asked Questions

What is the IUPAC name of [1-(1-methylsulfonylazetidin-3-yl)triazol-4-yl]methanamine?
The IUPAC name of [1-(1-methylsulfonylazetidin-3-yl)triazol-4-yl]methanamine (CID 121208761) is [1-(1-methylsulfonylazetidin-3-yl)triazol-4-yl]methanamine.
What is the SMILES notation for [1-(1-methylsulfonylazetidin-3-yl)triazol-4-yl]methanamine?
The canonical SMILES for [1-(1-methylsulfonylazetidin-3-yl)triazol-4-yl]methanamine is CS(=O)(=O)N1CC(n2cc(CN)nn2)C1.
What is the InChIKey of [1-(1-methylsulfonylazetidin-3-yl)triazol-4-yl]methanamine?
The InChIKey is MMPDFKIIXYVSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O2S/c1-15(13,14)11-4-7(5-11)12-3-6(2-8)9-10-12/h3,7H,2,4-5,8H2,1H3.
What are the key properties of [1-(1-methylsulfonylazetidin-3-yl)triazol-4-yl]methanamine?
[1-(1-methylsulfonylazetidin-3-yl)triazol-4-yl]methanamine has a molecular weight of 231.28 g/mol, XLogP of -1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-methylsulfonylazetidin-3-yl)triazol-4-yl]methanamine is sourced from PubChem (CID 121208761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).