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

C8H15N5O4S — CID 112531451

IUPACN-(2-hydroxyethyl)-2-[4-(methanesulfonamido)triazol-2-yl]-N-methylacetamide
SMILESCN(CCO)C(=O)Cn1ncc(NS(C)(=O)=O)n1
InChIInChI=1S/C8H15N5O4S/c1-12(3-4-14)8(15)6-13-9-5-7(10-13)11-18(2,16)17/h5,14H,3-4,6H2,1-2H3,(H,10,11)
InChIKeyLOVZANOGWMWUSV-UHFFFAOYSA-N
MW277.31 g/mol
LogP-1.90
Rot. Bonds6

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

N-(2-hydroxyethyl)-2-[4-(methanesulfonamido)triazol-2-yl]-N-methylacetamide (PubChem CID 112531451) has the molecular formula C8H15N5O4S and a molecular weight of 277.31 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-[4-(methanesulfonamido)triazol-2-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-[4-(methanesulfonamido)triazol-2-yl]-N-methylacetamide
PubChem CID112531451
Molecular FormulaC8H15N5O4S
Molecular Weight277.31 g/mol
Exact Mass277.08
IUPAC NameN-(2-hydroxyethyl)-2-[4-(methanesulfonamido)triazol-2-yl]-N-methylacetamide
SMILESCN(CCO)C(=O)Cn1ncc(NS(C)(=O)=O)n1
InChIInChI=1S/C8H15N5O4S/c1-12(3-4-14)8(15)6-13-9-5-7(10-13)11-18(2,16)17/h5,14H,3-4,6H2,1-2H3,(H,10,11)
InChIKeyLOVZANOGWMWUSV-UHFFFAOYSA-N
XLogP-1.90
TPSA117.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 5-1.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-[4-(methanesulfonamido)triazol-2-yl]-N-methylacetamide?
The IUPAC name of N-(2-hydroxyethyl)-2-[4-(methanesulfonamido)triazol-2-yl]-N-methylacetamide (CID 112531451) is N-(2-hydroxyethyl)-2-[4-(methanesulfonamido)triazol-2-yl]-N-methylacetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-[4-(methanesulfonamido)triazol-2-yl]-N-methylacetamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-[4-(methanesulfonamido)triazol-2-yl]-N-methylacetamide is CN(CCO)C(=O)Cn1ncc(NS(C)(=O)=O)n1.
What is the InChIKey of N-(2-hydroxyethyl)-2-[4-(methanesulfonamido)triazol-2-yl]-N-methylacetamide?
The InChIKey is LOVZANOGWMWUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O4S/c1-12(3-4-14)8(15)6-13-9-5-7(10-13)11-18(2,16)17/h5,14H,3-4,6H2,1-2H3,(H,10,11).
What are the key properties of N-(2-hydroxyethyl)-2-[4-(methanesulfonamido)triazol-2-yl]-N-methylacetamide?
N-(2-hydroxyethyl)-2-[4-(methanesulfonamido)triazol-2-yl]-N-methylacetamide has a molecular weight of 277.31 g/mol, XLogP of -1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-[4-(methanesulfonamido)triazol-2-yl]-N-methylacetamide is sourced from PubChem (CID 112531451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).