ethyl N-[4-(2-cyanopropan-2-yl)piperazin-1-yl]sulfonylcarbamate

C11H20N4O4S — CID 114463435

IUPACethyl N-[4-(2-cyanopropan-2-yl)piperazin-1-yl]sulfonylcarbamate
SMILESCCOC(=O)NS(=O)(=O)N1CCN(C(C)(C)C#N)CC1
InChIInChI=1S/C11H20N4O4S/c1-4-19-10(16)13-20(17,18)15-7-5-14(6-8-15)11(2,3)9-12/h4-8H2,1-3H3,(H,13,16)
InChIKeySQQCVGQIHZKHIS-UHFFFAOYSA-N
MW304.37 g/mol
LogP-0.10
Rot. Bonds4

About ethyl N-[4-(2-cyanopropan-2-yl)piperazin-1-yl]sulfonylcarbamate

ethyl N-[4-(2-cyanopropan-2-yl)piperazin-1-yl]sulfonylcarbamate (PubChem CID 114463435) has the molecular formula C11H20N4O4S and a molecular weight of 304.37 g/mol. Its IUPAC name is ethyl N-[4-(2-cyanopropan-2-yl)piperazin-1-yl]sulfonylcarbamate.

Molecular Properties

Compound Nameethyl N-[4-(2-cyanopropan-2-yl)piperazin-1-yl]sulfonylcarbamate
PubChem CID114463435
Molecular FormulaC11H20N4O4S
Molecular Weight304.37 g/mol
Exact Mass304.12
IUPAC Nameethyl N-[4-(2-cyanopropan-2-yl)piperazin-1-yl]sulfonylcarbamate
SMILESCCOC(=O)NS(=O)(=O)N1CCN(C(C)(C)C#N)CC1
InChIInChI=1S/C11H20N4O4S/c1-4-19-10(16)13-20(17,18)15-7-5-14(6-8-15)11(2,3)9-12/h4-8H2,1-3H3,(H,13,16)
InChIKeySQQCVGQIHZKHIS-UHFFFAOYSA-N
XLogP-0.10
TPSA102.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl N-[4-(2-cyanopropan-2-yl)piperazin-1-yl]sulfonylcarbamate 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

ethyl N-[4-(2-amino-2-sulfanylideneethyl)piperazin-1-yl]sulfonylcarbamate
CID 114463635
ethyl 2-[4-(2-cyanopropan-2-yl)piperazin-1-yl]pentanoate
CID 83042181
methyl 3-[4-(ethoxycarbonylsulfamoyl)piperazin-1-yl]propanoate
CID 114465560
ethyl N-[4-(1-amino-1-hydroxyiminopropan-2-yl)piperazin-1-yl]sulfonylcarbamate
CID 104929373
ethyl N-(4-carbamothioyl-4-methylpiperidin-1-yl)sulfonylcarbamate
CID 107161358
ethyl N-[(5-oxo-1,4-diazepan-1-yl)sulfonyl]carbamate
CID 114464489
ethyl N-[4-(2-bromoethoxy)piperidin-1-yl]sulfonylcarbamate
CID 114466815
3-[1-(ethoxycarbonylsulfamoyl)piperidin-4-yl]oxypropanoic acid
CID 114462701
1-(ethoxycarbonylsulfamoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 114462628
2-[4-[2-(3-ethoxycyclobutyl)acetyl]piperazin-1-yl]-2-methylpropanenitrile
CID 103163589
ethyl N-[(4-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)sulfonyl]carbamate
CID 114465316
2-methyl-2-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]propanenitrile
CID 79593694

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-(2-cyanopropan-2-yl)piperazin-1-yl]sulfonylcarbamate?
The IUPAC name of ethyl N-[4-(2-cyanopropan-2-yl)piperazin-1-yl]sulfonylcarbamate (CID 114463435) is ethyl N-[4-(2-cyanopropan-2-yl)piperazin-1-yl]sulfonylcarbamate.
What is the SMILES notation for ethyl N-[4-(2-cyanopropan-2-yl)piperazin-1-yl]sulfonylcarbamate?
The canonical SMILES for ethyl N-[4-(2-cyanopropan-2-yl)piperazin-1-yl]sulfonylcarbamate is CCOC(=O)NS(=O)(=O)N1CCN(C(C)(C)C#N)CC1.
What is the InChIKey of ethyl N-[4-(2-cyanopropan-2-yl)piperazin-1-yl]sulfonylcarbamate?
The InChIKey is SQQCVGQIHZKHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O4S/c1-4-19-10(16)13-20(17,18)15-7-5-14(6-8-15)11(2,3)9-12/h4-8H2,1-3H3,(H,13,16).
What are the key properties of ethyl N-[4-(2-cyanopropan-2-yl)piperazin-1-yl]sulfonylcarbamate?
ethyl N-[4-(2-cyanopropan-2-yl)piperazin-1-yl]sulfonylcarbamate has a molecular weight of 304.37 g/mol, XLogP of -0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-(2-cyanopropan-2-yl)piperazin-1-yl]sulfonylcarbamate is sourced from PubChem (CID 114463435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).