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

C10H21N3O2S — CID 61384848

IUPAC3-[diethylsulfamoyl(ethyl)amino]-2-methylpropanenitrile
SMILESCCN(CC)S(=O)(=O)N(CC)CC(C)C#N
InChIInChI=1S/C10H21N3O2S/c1-5-12(6-2)16(14,15)13(7-3)9-10(4)8-11/h10H,5-7,9H2,1-4H3
InChIKeyPGGQRPOQOKKDMC-UHFFFAOYSA-N
MW247.36 g/mol
LogP1.05
Rot. Bonds7

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

3-[diethylsulfamoyl(ethyl)amino]-2-methylpropanenitrile (PubChem CID 61384848) has the molecular formula C10H21N3O2S and a molecular weight of 247.36 g/mol. Its IUPAC name is 3-[diethylsulfamoyl(ethyl)amino]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[diethylsulfamoyl(ethyl)amino]-2-methylpropanenitrile
PubChem CID61384848
Molecular FormulaC10H21N3O2S
Molecular Weight247.36 g/mol
Exact Mass247.14
IUPAC Name3-[diethylsulfamoyl(ethyl)amino]-2-methylpropanenitrile
SMILESCCN(CC)S(=O)(=O)N(CC)CC(C)C#N
InChIInChI=1S/C10H21N3O2S/c1-5-12(6-2)16(14,15)13(7-3)9-10(4)8-11/h10H,5-7,9H2,1-4H3
InChIKeyPGGQRPOQOKKDMC-UHFFFAOYSA-N
XLogP1.05
TPSA64.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[diethylsulfamoyl(ethyl)amino]-2-methylpropanenitrile?
The IUPAC name of 3-[diethylsulfamoyl(ethyl)amino]-2-methylpropanenitrile (CID 61384848) is 3-[diethylsulfamoyl(ethyl)amino]-2-methylpropanenitrile.
What is the SMILES notation for 3-[diethylsulfamoyl(ethyl)amino]-2-methylpropanenitrile?
The canonical SMILES for 3-[diethylsulfamoyl(ethyl)amino]-2-methylpropanenitrile is CCN(CC)S(=O)(=O)N(CC)CC(C)C#N.
What is the InChIKey of 3-[diethylsulfamoyl(ethyl)amino]-2-methylpropanenitrile?
The InChIKey is PGGQRPOQOKKDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2S/c1-5-12(6-2)16(14,15)13(7-3)9-10(4)8-11/h10H,5-7,9H2,1-4H3.
What are the key properties of 3-[diethylsulfamoyl(ethyl)amino]-2-methylpropanenitrile?
3-[diethylsulfamoyl(ethyl)amino]-2-methylpropanenitrile has a molecular weight of 247.36 g/mol, XLogP of 1.05, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[diethylsulfamoyl(ethyl)amino]-2-methylpropanenitrile is sourced from PubChem (CID 61384848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).