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

C8H15N5O4S — CID 112531455

IUPACN-(2-hydroxyethyl)-2-[4-(methanesulfonamido)triazol-1-yl]-N-methylacetamide
SMILESCN(CCO)C(=O)Cn1cc(NS(C)(=O)=O)nn1
InChIInChI=1S/C8H15N5O4S/c1-12(3-4-14)8(15)6-13-5-7(9-11-13)10-18(2,16)17/h5,10,14H,3-4,6H2,1-2H3
InChIKeyIWZVEBXRNZWVAV-UHFFFAOYSA-N
MW277.31 g/mol
LogP-1.90
Rot. Bonds6

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

N-(2-hydroxyethyl)-2-[4-(methanesulfonamido)triazol-1-yl]-N-methylacetamide (PubChem CID 112531455) 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-1-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-[4-(methanesulfonamido)triazol-1-yl]-N-methylacetamide
PubChem CID112531455
Molecular FormulaC8H15N5O4S
Molecular Weight277.31 g/mol
Exact Mass277.08
IUPAC NameN-(2-hydroxyethyl)-2-[4-(methanesulfonamido)triazol-1-yl]-N-methylacetamide
SMILESCN(CCO)C(=O)Cn1cc(NS(C)(=O)=O)nn1
InChIInChI=1S/C8H15N5O4S/c1-12(3-4-14)8(15)6-13-5-7(9-11-13)10-18(2,16)17/h5,10,14H,3-4,6H2,1-2H3
InChIKeyIWZVEBXRNZWVAV-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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Related Compounds

2-[4-(Butylsulfonylamino)triazol-1-yl]acetic acid
CID 108494034
2-[4-(Ethylsulfonylamino)triazol-1-yl]acetic acid
CID 108494107
2-[4-(Methanesulfonamido)triazol-1-yl]acetic acid
CID 108495975
N-ethyl-2-[4-(methanesulfonamido)triazol-1-yl]acetamide
CID 112519995
2-[4-(methanesulfonamido)triazol-1-yl]-N-propan-2-ylacetamide
CID 112520032
N-[3-(diethylamino)propyl]-2-[4-(methanesulfonamido)triazol-1-yl]acetamide
CID 112520147
N-[2-(dimethylamino)ethyl]-2-[4-(methanesulfonamido)triazol-1-yl]acetamide
CID 112520187
2-[4-(methanesulfonamido)triazol-1-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 112520330
2-[4-(methanesulfonamido)triazol-1-yl]-N-methylacetamide
CID 112520553
2-[4-(Methanesulfonamido)triazol-1-yl]acetamide
CID 112520593
N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide
CID 112530397
N-[1-(2-oxo-2-pyrrolidin-1-ylethyl)triazol-4-yl]methanesulfonamide
CID 112530466

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-[4-(methanesulfonamido)triazol-1-yl]-N-methylacetamide?
The IUPAC name of N-(2-hydroxyethyl)-2-[4-(methanesulfonamido)triazol-1-yl]-N-methylacetamide (CID 112531455) is N-(2-hydroxyethyl)-2-[4-(methanesulfonamido)triazol-1-yl]-N-methylacetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-[4-(methanesulfonamido)triazol-1-yl]-N-methylacetamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-[4-(methanesulfonamido)triazol-1-yl]-N-methylacetamide is CN(CCO)C(=O)Cn1cc(NS(C)(=O)=O)nn1.
What is the InChIKey of N-(2-hydroxyethyl)-2-[4-(methanesulfonamido)triazol-1-yl]-N-methylacetamide?
The InChIKey is IWZVEBXRNZWVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O4S/c1-12(3-4-14)8(15)6-13-5-7(9-11-13)10-18(2,16)17/h5,10,14H,3-4,6H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-2-[4-(methanesulfonamido)triazol-1-yl]-N-methylacetamide?
N-(2-hydroxyethyl)-2-[4-(methanesulfonamido)triazol-1-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-1-yl]-N-methylacetamide is sourced from PubChem (CID 112531455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).