N-(dimethylsulfamoyl)-N-ethylprop-2-yn-1-amine

C7H14N2O2S — CID 13295157

IUPACN-(dimethylsulfamoyl)-N-ethylprop-2-yn-1-amine
SMILESC#CCN(CC)S(=O)(=O)N(C)C
InChIInChI=1S/C7H14N2O2S/c1-5-7-9(6-2)12(10,11)8(3)4/h1H,6-7H2,2-4H3
InChIKeyUUKFKZZGWKORAR-UHFFFAOYSA-N
MW190.27 g/mol
LogP-0.25
Rot. Bonds4

About N-(dimethylsulfamoyl)-N-ethylprop-2-yn-1-amine

N-(dimethylsulfamoyl)-N-ethylprop-2-yn-1-amine (PubChem CID 13295157) has the molecular formula C7H14N2O2S and a molecular weight of 190.27 g/mol. Its IUPAC name is N-(dimethylsulfamoyl)-N-ethylprop-2-yn-1-amine.

Molecular Properties

Compound NameN-(dimethylsulfamoyl)-N-ethylprop-2-yn-1-amine
PubChem CID13295157
Molecular FormulaC7H14N2O2S
Molecular Weight190.27 g/mol
Exact Mass190.08
IUPAC NameN-(dimethylsulfamoyl)-N-ethylprop-2-yn-1-amine
SMILESC#CCN(CC)S(=O)(=O)N(C)C
InChIInChI=1S/C7H14N2O2S/c1-5-7-9(6-2)12(10,11)8(3)4/h1H,6-7H2,2-4H3
InChIKeyUUKFKZZGWKORAR-UHFFFAOYSA-N
XLogP-0.25
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 5-0.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-(dimethylsulfamoyl)-N-ethylprop-2-yn-1-amine 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-(dimethylsulfamoyl)-N-ethylprop-2-yn-1-amine?
The IUPAC name of N-(dimethylsulfamoyl)-N-ethylprop-2-yn-1-amine (CID 13295157) is N-(dimethylsulfamoyl)-N-ethylprop-2-yn-1-amine.
What is the SMILES notation for N-(dimethylsulfamoyl)-N-ethylprop-2-yn-1-amine?
The canonical SMILES for N-(dimethylsulfamoyl)-N-ethylprop-2-yn-1-amine is C#CCN(CC)S(=O)(=O)N(C)C.
What is the InChIKey of N-(dimethylsulfamoyl)-N-ethylprop-2-yn-1-amine?
The InChIKey is UUKFKZZGWKORAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2S/c1-5-7-9(6-2)12(10,11)8(3)4/h1H,6-7H2,2-4H3.
What are the key properties of N-(dimethylsulfamoyl)-N-ethylprop-2-yn-1-amine?
N-(dimethylsulfamoyl)-N-ethylprop-2-yn-1-amine has a molecular weight of 190.27 g/mol, XLogP of -0.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dimethylsulfamoyl)-N-ethylprop-2-yn-1-amine is sourced from PubChem (CID 13295157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).