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

C9H18N6O3S — CID 112520187

IUPACN-[2-(dimethylamino)ethyl]-2-[4-(methanesulfonamido)triazol-1-yl]acetamide
SMILESCN(C)CCNC(=O)Cn1cc(NS(C)(=O)=O)nn1
InChIInChI=1S/C9H18N6O3S/c1-14(2)5-4-10-9(16)7-15-6-8(11-13-15)12-19(3,17)18/h6,12H,4-5,7H2,1-3H3,(H,10,16)
InChIKeyUQYHFFCMMANPQK-UHFFFAOYSA-N
MW290.35 g/mol
LogP-1.67
Rot. Bonds7

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

N-[2-(dimethylamino)ethyl]-2-[4-(methanesulfonamido)triazol-1-yl]acetamide (PubChem CID 112520187) has the molecular formula C9H18N6O3S and a molecular weight of 290.35 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-[4-(methanesulfonamido)triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-[4-(methanesulfonamido)triazol-1-yl]acetamide
PubChem CID112520187
Molecular FormulaC9H18N6O3S
Molecular Weight290.35 g/mol
Exact Mass290.12
IUPAC NameN-[2-(dimethylamino)ethyl]-2-[4-(methanesulfonamido)triazol-1-yl]acetamide
SMILESCN(C)CCNC(=O)Cn1cc(NS(C)(=O)=O)nn1
InChIInChI=1S/C9H18N6O3S/c1-14(2)5-4-10-9(16)7-15-6-8(11-13-15)12-19(3,17)18/h6,12H,4-5,7H2,1-3H3,(H,10,16)
InChIKeyUQYHFFCMMANPQK-UHFFFAOYSA-N
XLogP-1.67
TPSA109.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 5-1.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[2-(dimethylamino)ethyl]-2-[4-(methanesulfonamido)triazol-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-[4-(methanesulfonamido)triazol-1-yl]acetamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-[4-(methanesulfonamido)triazol-1-yl]acetamide (CID 112520187) is N-[2-(dimethylamino)ethyl]-2-[4-(methanesulfonamido)triazol-1-yl]acetamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-[4-(methanesulfonamido)triazol-1-yl]acetamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-[4-(methanesulfonamido)triazol-1-yl]acetamide is CN(C)CCNC(=O)Cn1cc(NS(C)(=O)=O)nn1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-[4-(methanesulfonamido)triazol-1-yl]acetamide?
The InChIKey is UQYHFFCMMANPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N6O3S/c1-14(2)5-4-10-9(16)7-15-6-8(11-13-15)12-19(3,17)18/h6,12H,4-5,7H2,1-3H3,(H,10,16).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-[4-(methanesulfonamido)triazol-1-yl]acetamide?
N-[2-(dimethylamino)ethyl]-2-[4-(methanesulfonamido)triazol-1-yl]acetamide has a molecular weight of 290.35 g/mol, XLogP of -1.67, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-[4-(methanesulfonamido)triazol-1-yl]acetamide is sourced from PubChem (CID 112520187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).