3-[dimethylsulfamoyl(ethyl)amino]-2-methylpropanenitrile

C8H17N3O2S — CID 61384887

IUPAC3-[dimethylsulfamoyl(ethyl)amino]-2-methylpropanenitrile
SMILESCCN(CC(C)C#N)S(=O)(=O)N(C)C
InChIInChI=1S/C8H17N3O2S/c1-5-11(7-8(2)6-9)14(12,13)10(3)4/h8H,5,7H2,1-4H3
InChIKeyAKJNDCFBXLJTJA-UHFFFAOYSA-N
MW219.31 g/mol
LogP0.27
Rot. Bonds5

About 3-[dimethylsulfamoyl(ethyl)amino]-2-methylpropanenitrile

3-[dimethylsulfamoyl(ethyl)amino]-2-methylpropanenitrile (PubChem CID 61384887) has the molecular formula C8H17N3O2S and a molecular weight of 219.31 g/mol. Its IUPAC name is 3-[dimethylsulfamoyl(ethyl)amino]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[dimethylsulfamoyl(ethyl)amino]-2-methylpropanenitrile
PubChem CID61384887
Molecular FormulaC8H17N3O2S
Molecular Weight219.31 g/mol
Exact Mass219.10
IUPAC Name3-[dimethylsulfamoyl(ethyl)amino]-2-methylpropanenitrile
SMILESCCN(CC(C)C#N)S(=O)(=O)N(C)C
InChIInChI=1S/C8H17N3O2S/c1-5-11(7-8(2)6-9)14(12,13)10(3)4/h8H,5,7H2,1-4H3
InChIKeyAKJNDCFBXLJTJA-UHFFFAOYSA-N
XLogP0.27
TPSA64.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[dimethylsulfamoyl(ethyl)amino]-2-methylpropanenitrile with MolForge

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

Launch Full Analysis

Related Compounds

N,N-diisobutylsulfamide
CID 44381123
3-[(Chlorosulfonyl)(ethyl)amino]-2-methylpropanenitrile
CID 61576999
3-[(Chlorosulfonyl)(methyl)amino]-2-methylpropanenitrile
CID 61578550
amino N,N-bis(2-methylpropyl)sulfamate
CID 144898058
N-[bis(2-methylpropyl)sulfamoyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 153746043
3-[Diethylsulfamoyl(methyl)amino]propanenitrile
CID 28785076
1-[[2-Cyanoethyl(methyl)sulfamoyl]amino]-2-methylpropane
CID 35431036
3-[Dimethylsulfamoyl(ethyl)amino]propanenitrile
CID 39240929
N-(2-cyanoethyl)-2-methyl-N-(2-methylpropyl)propane-2-sulfonamide
CID 55248307
3-[[Butyl(methyl)sulfamoyl]-ethylamino]propanenitrile
CID 56789901
3-[[2-Cyanoethyl(ethyl)sulfamoyl]-methylamino]propanenitrile
CID 60307620
3-[Cyclopropylmethyl-[methyl(propan-2-yl)sulfamoyl]amino]propanenitrile
CID 60307691

Frequently Asked Questions

What is the IUPAC name of 3-[dimethylsulfamoyl(ethyl)amino]-2-methylpropanenitrile?
The IUPAC name of 3-[dimethylsulfamoyl(ethyl)amino]-2-methylpropanenitrile (CID 61384887) is 3-[dimethylsulfamoyl(ethyl)amino]-2-methylpropanenitrile.
What is the SMILES notation for 3-[dimethylsulfamoyl(ethyl)amino]-2-methylpropanenitrile?
The canonical SMILES for 3-[dimethylsulfamoyl(ethyl)amino]-2-methylpropanenitrile is CCN(CC(C)C#N)S(=O)(=O)N(C)C.
What is the InChIKey of 3-[dimethylsulfamoyl(ethyl)amino]-2-methylpropanenitrile?
The InChIKey is AKJNDCFBXLJTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2S/c1-5-11(7-8(2)6-9)14(12,13)10(3)4/h8H,5,7H2,1-4H3.
What are the key properties of 3-[dimethylsulfamoyl(ethyl)amino]-2-methylpropanenitrile?
3-[dimethylsulfamoyl(ethyl)amino]-2-methylpropanenitrile has a molecular weight of 219.31 g/mol, XLogP of 0.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dimethylsulfamoyl(ethyl)amino]-2-methylpropanenitrile is sourced from PubChem (CID 61384887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).