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

C11H20N6O4S — CID 112520330

IUPAC2-[4-(methanesulfonamido)triazol-1-yl]-N-(2-morpholin-4-ylethyl)acetamide
SMILESCS(=O)(=O)Nc1cn(CC(=O)NCCN2CCOCC2)nn1
InChIInChI=1S/C11H20N6O4S/c1-22(19,20)14-10-8-17(15-13-10)9-11(18)12-2-3-16-4-6-21-7-5-16/h8,14H,2-7,9H2,1H3,(H,12,18)
InChIKeyXSLYOQXBBZNFEG-UHFFFAOYSA-N
MW332.39 g/mol
LogP-1.90
Rot. Bonds7

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

2-[4-(methanesulfonamido)triazol-1-yl]-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 112520330) has the molecular formula C11H20N6O4S and a molecular weight of 332.39 g/mol. Its IUPAC name is 2-[4-(methanesulfonamido)triazol-1-yl]-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-[4-(methanesulfonamido)triazol-1-yl]-N-(2-morpholin-4-ylethyl)acetamide
PubChem CID112520330
Molecular FormulaC11H20N6O4S
Molecular Weight332.39 g/mol
Exact Mass332.13
IUPAC Name2-[4-(methanesulfonamido)triazol-1-yl]-N-(2-morpholin-4-ylethyl)acetamide
SMILESCS(=O)(=O)Nc1cn(CC(=O)NCCN2CCOCC2)nn1
InChIInChI=1S/C11H20N6O4S/c1-22(19,20)14-10-8-17(15-13-10)9-11(18)12-2-3-16-4-6-21-7-5-16/h8,14H,2-7,9H2,1H3,(H,12,18)
InChIKeyXSLYOQXBBZNFEG-UHFFFAOYSA-N
XLogP-1.90
TPSA118.45 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 5-1.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(methanesulfonamido)triazol-1-yl]-N-(2-morpholin-4-ylethyl)acetamide?
The IUPAC name of 2-[4-(methanesulfonamido)triazol-1-yl]-N-(2-morpholin-4-ylethyl)acetamide (CID 112520330) is 2-[4-(methanesulfonamido)triazol-1-yl]-N-(2-morpholin-4-ylethyl)acetamide.
What is the SMILES notation for 2-[4-(methanesulfonamido)triazol-1-yl]-N-(2-morpholin-4-ylethyl)acetamide?
The canonical SMILES for 2-[4-(methanesulfonamido)triazol-1-yl]-N-(2-morpholin-4-ylethyl)acetamide is CS(=O)(=O)Nc1cn(CC(=O)NCCN2CCOCC2)nn1.
What is the InChIKey of 2-[4-(methanesulfonamido)triazol-1-yl]-N-(2-morpholin-4-ylethyl)acetamide?
The InChIKey is XSLYOQXBBZNFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6O4S/c1-22(19,20)14-10-8-17(15-13-10)9-11(18)12-2-3-16-4-6-21-7-5-16/h8,14H,2-7,9H2,1H3,(H,12,18).
What are the key properties of 2-[4-(methanesulfonamido)triazol-1-yl]-N-(2-morpholin-4-ylethyl)acetamide?
2-[4-(methanesulfonamido)triazol-1-yl]-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 332.39 g/mol, XLogP of -1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methanesulfonamido)triazol-1-yl]-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 112520330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).