2-[4-(methanesulfonamido)triazol-1-yl]-N-methylacetamide

C6H11N5O3S — CID 112520553

IUPAC2-[4-(methanesulfonamido)triazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1cc(NS(C)(=O)=O)nn1
InChIInChI=1S/C6H11N5O3S/c1-7-6(12)4-11-3-5(8-10-11)9-15(2,13)14/h3,9H,4H2,1-2H3,(H,7,12)
InChIKeyFFFVJOBVPIKXGN-UHFFFAOYSA-N
MW233.25 g/mol
LogP-1.60
Rot. Bonds4

About 2-[4-(methanesulfonamido)triazol-1-yl]-N-methylacetamide

2-[4-(methanesulfonamido)triazol-1-yl]-N-methylacetamide (PubChem CID 112520553) has the molecular formula C6H11N5O3S and a molecular weight of 233.25 g/mol. Its IUPAC name is 2-[4-(methanesulfonamido)triazol-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(methanesulfonamido)triazol-1-yl]-N-methylacetamide
PubChem CID112520553
Molecular FormulaC6H11N5O3S
Molecular Weight233.25 g/mol
Exact Mass233.06
IUPAC Name2-[4-(methanesulfonamido)triazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1cc(NS(C)(=O)=O)nn1
InChIInChI=1S/C6H11N5O3S/c1-7-6(12)4-11-3-5(8-10-11)9-15(2,13)14/h3,9H,4H2,1-2H3,(H,7,12)
InChIKeyFFFVJOBVPIKXGN-UHFFFAOYSA-N
XLogP-1.60
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 5-1.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(methanesulfonamido)triazol-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-(methanesulfonamido)triazol-1-yl]-N-methylacetamide (CID 112520553) is 2-[4-(methanesulfonamido)triazol-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-(methanesulfonamido)triazol-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-(methanesulfonamido)triazol-1-yl]-N-methylacetamide is CNC(=O)Cn1cc(NS(C)(=O)=O)nn1.
What is the InChIKey of 2-[4-(methanesulfonamido)triazol-1-yl]-N-methylacetamide?
The InChIKey is FFFVJOBVPIKXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5O3S/c1-7-6(12)4-11-3-5(8-10-11)9-15(2,13)14/h3,9H,4H2,1-2H3,(H,7,12).
What are the key properties of 2-[4-(methanesulfonamido)triazol-1-yl]-N-methylacetamide?
2-[4-(methanesulfonamido)triazol-1-yl]-N-methylacetamide has a molecular weight of 233.25 g/mol, XLogP of -1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methanesulfonamido)triazol-1-yl]-N-methylacetamide is sourced from PubChem (CID 112520553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).