N-(methylsulfonimidoyl)-1-(2-methyltriazol-4-yl)methanamine

C5H11N5OS — CID 164648365

IUPACN-(methylsulfonimidoyl)-1-(2-methyltriazol-4-yl)methanamine
SMILES[H]N=S(C)(=O)NCc1cnn(C)n1
InChIInChI=1S/C5H11N5OS/c1-10-7-3-5(9-10)4-8-12(2,6)11/h3H,4H2,1-2H3,(H2,6,8,11)
InChIKeyITVYFNOQSQGXSF-UHFFFAOYSA-N
MW189.24 g/mol
LogP-0.50
Rot. Bonds3

About N-(methylsulfonimidoyl)-1-(2-methyltriazol-4-yl)methanamine

N-(methylsulfonimidoyl)-1-(2-methyltriazol-4-yl)methanamine (PubChem CID 164648365) has the molecular formula C5H11N5OS and a molecular weight of 189.24 g/mol. Its IUPAC name is N-(methylsulfonimidoyl)-1-(2-methyltriazol-4-yl)methanamine.

Molecular Properties

Compound NameN-(methylsulfonimidoyl)-1-(2-methyltriazol-4-yl)methanamine
PubChem CID164648365
Molecular FormulaC5H11N5OS
Molecular Weight189.24 g/mol
Exact Mass189.07
IUPAC NameN-(methylsulfonimidoyl)-1-(2-methyltriazol-4-yl)methanamine
SMILES[H]N=S(C)(=O)NCc1cnn(C)n1
InChIInChI=1S/C5H11N5OS/c1-10-7-3-5(9-10)4-8-12(2,6)11/h3H,4H2,1-2H3,(H2,6,8,11)
InChIKeyITVYFNOQSQGXSF-UHFFFAOYSA-N
XLogP-0.50
TPSA83.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(methylsulfonimidoyl)-1-(2-methyltriazol-4-yl)methanamine?
The IUPAC name of N-(methylsulfonimidoyl)-1-(2-methyltriazol-4-yl)methanamine (CID 164648365) is N-(methylsulfonimidoyl)-1-(2-methyltriazol-4-yl)methanamine.
What is the SMILES notation for N-(methylsulfonimidoyl)-1-(2-methyltriazol-4-yl)methanamine?
The canonical SMILES for N-(methylsulfonimidoyl)-1-(2-methyltriazol-4-yl)methanamine is [H]N=S(C)(=O)NCc1cnn(C)n1.
What is the InChIKey of N-(methylsulfonimidoyl)-1-(2-methyltriazol-4-yl)methanamine?
The InChIKey is ITVYFNOQSQGXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N5OS/c1-10-7-3-5(9-10)4-8-12(2,6)11/h3H,4H2,1-2H3,(H2,6,8,11).
What are the key properties of N-(methylsulfonimidoyl)-1-(2-methyltriazol-4-yl)methanamine?
N-(methylsulfonimidoyl)-1-(2-methyltriazol-4-yl)methanamine has a molecular weight of 189.24 g/mol, XLogP of -0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylsulfonimidoyl)-1-(2-methyltriazol-4-yl)methanamine is sourced from PubChem (CID 164648365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).