2-[tert-butylsulfamoyl(methyl)amino]-1-cyanopropane

C9H19N3O2S — CID 104538426

IUPAC2-[tert-butylsulfamoyl(methyl)amino]-1-cyanopropane
SMILESCC(CC#N)N(C)S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C9H19N3O2S/c1-8(6-7-10)12(5)15(13,14)11-9(2,3)4/h8,11H,6H2,1-5H3
InChIKeyVRUHUKVJRSSGIT-UHFFFAOYSA-N
MW233.34 g/mol
LogP0.85
Rot. Bonds4

About 2-[tert-butylsulfamoyl(methyl)amino]-1-cyanopropane

2-[tert-butylsulfamoyl(methyl)amino]-1-cyanopropane (PubChem CID 104538426) has the molecular formula C9H19N3O2S and a molecular weight of 233.34 g/mol. Its IUPAC name is 2-[tert-butylsulfamoyl(methyl)amino]-1-cyanopropane.

Molecular Properties

Compound Name2-[tert-butylsulfamoyl(methyl)amino]-1-cyanopropane
PubChem CID104538426
Molecular FormulaC9H19N3O2S
Molecular Weight233.34 g/mol
Exact Mass233.12
IUPAC Name2-[tert-butylsulfamoyl(methyl)amino]-1-cyanopropane
SMILESCC(CC#N)N(C)S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C9H19N3O2S/c1-8(6-7-10)12(5)15(13,14)11-9(2,3)4/h8,11H,6H2,1-5H3
InChIKeyVRUHUKVJRSSGIT-UHFFFAOYSA-N
XLogP0.85
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[tert-butylsulfamoyl(methyl)amino]-1-cyanopropane 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

2-[[2-Cyanoethyl(methyl)sulfamoyl]amino]butane
CID 47164658
3-Cyano-3-[[methyl(propan-2-yl)sulfamoyl]amino]pentane
CID 55137783
3-Cyano-3-(dimethylsulfamoylamino)pentane
CID 61122126
1-Cyano-1-(diethylsulfamoylamino)propane
CID 61124252
2-Cyano-2-(diethylsulfamoylamino)butane
CID 61124506
3-Cyano-3-(diethylsulfamoylamino)pentane
CID 61124911
2-Cyano-2-(diethylsulfamoylamino)propane
CID 61127911
2-Cyano-2-[[methyl(propan-2-yl)sulfamoyl]amino]propane
CID 61453707
1-Cyano-1-[[methyl(propan-2-yl)sulfamoyl]amino]propane
CID 61453749
1-Cyano-1-[[methyl(propan-2-yl)sulfamoyl]amino]butane
CID 61453750
2-Cyano-2-[[methyl(propan-2-yl)sulfamoyl]amino]butane
CID 61453829
1-Cyano-2-[[methyl(propan-2-yl)sulfamoyl]amino]propane
CID 62093898

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butylsulfamoyl(methyl)amino]-1-cyanopropane?
The IUPAC name of 2-[tert-butylsulfamoyl(methyl)amino]-1-cyanopropane (CID 104538426) is 2-[tert-butylsulfamoyl(methyl)amino]-1-cyanopropane.
What is the SMILES notation for 2-[tert-butylsulfamoyl(methyl)amino]-1-cyanopropane?
The canonical SMILES for 2-[tert-butylsulfamoyl(methyl)amino]-1-cyanopropane is CC(CC#N)N(C)S(=O)(=O)NC(C)(C)C.
What is the InChIKey of 2-[tert-butylsulfamoyl(methyl)amino]-1-cyanopropane?
The InChIKey is VRUHUKVJRSSGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2S/c1-8(6-7-10)12(5)15(13,14)11-9(2,3)4/h8,11H,6H2,1-5H3.
What are the key properties of 2-[tert-butylsulfamoyl(methyl)amino]-1-cyanopropane?
2-[tert-butylsulfamoyl(methyl)amino]-1-cyanopropane has a molecular weight of 233.34 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butylsulfamoyl(methyl)amino]-1-cyanopropane is sourced from PubChem (CID 104538426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).