2-[4-(methanesulfonamido)triazol-1-yl]acetamide

C5H9N5O3S — CID 112520593

IUPAC2-[4-(methanesulfonamido)triazol-1-yl]acetamide
SMILESCS(=O)(=O)Nc1cn(CC(N)=O)nn1
InChIInChI=1S/C5H9N5O3S/c1-14(12,13)8-5-3-10(9-7-5)2-4(6)11/h3,8H,2H2,1H3,(H2,6,11)
InChIKeyVCGRWRNNCNGQKV-UHFFFAOYSA-N
MW219.23 g/mol
LogP-1.87
Rot. Bonds4

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

2-[4-(methanesulfonamido)triazol-1-yl]acetamide (PubChem CID 112520593) has the molecular formula C5H9N5O3S and a molecular weight of 219.23 g/mol. Its IUPAC name is 2-[4-(methanesulfonamido)triazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(methanesulfonamido)triazol-1-yl]acetamide
PubChem CID112520593
Molecular FormulaC5H9N5O3S
Molecular Weight219.23 g/mol
Exact Mass219.04
IUPAC Name2-[4-(methanesulfonamido)triazol-1-yl]acetamide
SMILESCS(=O)(=O)Nc1cn(CC(N)=O)nn1
InChIInChI=1S/C5H9N5O3S/c1-14(12,13)8-5-3-10(9-7-5)2-4(6)11/h3,8H,2H2,1H3,(H2,6,11)
InChIKeyVCGRWRNNCNGQKV-UHFFFAOYSA-N
XLogP-1.87
TPSA119.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.23
LogP ≤ 5-1.87
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]acetamide?
The IUPAC name of 2-[4-(methanesulfonamido)triazol-1-yl]acetamide (CID 112520593) is 2-[4-(methanesulfonamido)triazol-1-yl]acetamide.
What is the SMILES notation for 2-[4-(methanesulfonamido)triazol-1-yl]acetamide?
The canonical SMILES for 2-[4-(methanesulfonamido)triazol-1-yl]acetamide is CS(=O)(=O)Nc1cn(CC(N)=O)nn1.
What is the InChIKey of 2-[4-(methanesulfonamido)triazol-1-yl]acetamide?
The InChIKey is VCGRWRNNCNGQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N5O3S/c1-14(12,13)8-5-3-10(9-7-5)2-4(6)11/h3,8H,2H2,1H3,(H2,6,11).
What are the key properties of 2-[4-(methanesulfonamido)triazol-1-yl]acetamide?
2-[4-(methanesulfonamido)triazol-1-yl]acetamide has a molecular weight of 219.23 g/mol, XLogP of -1.87, 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]acetamide is sourced from PubChem (CID 112520593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).