[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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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).