2-[4-[2-cyanoethyl(methyl)sulfamoyl]piperazin-1-yl]-N,N-diethylacetamide

C14H27N5O3S — CID 55598815

IUPAC2-[4-[2-cyanoethyl(methyl)sulfamoyl]piperazin-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1CCN(S(=O)(=O)N(C)CCC#N)CC1
InChIInChI=1S/C14H27N5O3S/c1-4-18(5-2)14(20)13-17-9-11-19(12-10-17)23(21,22)16(3)8-6-7-15/h4-6,8-13H2,1-3H3
InChIKeyDVFWMXRSYHMVHB-UHFFFAOYSA-N
MW345.47 g/mol
LogP-0.44
Rot. Bonds8

About 2-[4-[2-cyanoethyl(methyl)sulfamoyl]piperazin-1-yl]-N,N-diethylacetamide

2-[4-[2-cyanoethyl(methyl)sulfamoyl]piperazin-1-yl]-N,N-diethylacetamide (PubChem CID 55598815) has the molecular formula C14H27N5O3S and a molecular weight of 345.47 g/mol. Its IUPAC name is 2-[4-[2-cyanoethyl(methyl)sulfamoyl]piperazin-1-yl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[4-[2-cyanoethyl(methyl)sulfamoyl]piperazin-1-yl]-N,N-diethylacetamide
PubChem CID55598815
Molecular FormulaC14H27N5O3S
Molecular Weight345.47 g/mol
Exact Mass345.18
IUPAC Name2-[4-[2-cyanoethyl(methyl)sulfamoyl]piperazin-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1CCN(S(=O)(=O)N(C)CCC#N)CC1
InChIInChI=1S/C14H27N5O3S/c1-4-18(5-2)14(20)13-17-9-11-19(12-10-17)23(21,22)16(3)8-6-7-15/h4-6,8-13H2,1-3H3
InChIKeyDVFWMXRSYHMVHB-UHFFFAOYSA-N
XLogP-0.44
TPSA87.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 5-0.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-[2-cyanoethyl(methyl)sulfamoyl]piperazin-1-yl]-N,N-diethylacetamide 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-(2-cyanoethyl)-N-methyl-4-(3,3,3-trifluoropropanoyl)piperazine-1-sulfonamide
CID 86869042
3-[7-(2-Cyanoethyl)-11,12-dioxo-1,4,7,10-tetrazabicyclo[8.2.2]tetradecan-4-yl]propanenitrile
CID 10664321
3-[8-(2-Cyanoethyl)-13,14-dioxo-1,5,8,12-tetrazabicyclo[10.2.2]hexadecan-5-yl]propanenitrile
CID 10689892
3-[4-(2-Cyanoethyl)-2,5-dioxopiperazin-1-yl]propanenitrile
CID 59557663
N-(4-acetylpiperazin-1-yl)sulfonyl-N-(cyanomethyl)acetamide
CID 171517709
3-(4-Ethyl-2,3-dioxopiperazin-1-yl)propanenitrile
CID 24703732
3-[Methyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]propanenitrile
CID 28387323
4-acetyl-N-(2-cyanoethyl)-N-methylpiperazine-1-sulfonamide
CID 35430985
N-(2-cyanoethyl)-N-methyl-3-oxopiperazine-1-sulfonamide
CID 35431286
2-(4-acetylpiperazin-1-yl)-N-(2-cyanoethyl)-N-methylacetamide
CID 43213979
N-(2-cyanoethyl)-N-methyl-2-(4-methylpiperazin-1-yl)acetamide
CID 43213999
N-(2-cyanoethyl)-2-(4-ethylpiperazin-1-yl)-N-methylacetamide
CID 43214006

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-cyanoethyl(methyl)sulfamoyl]piperazin-1-yl]-N,N-diethylacetamide?
The IUPAC name of 2-[4-[2-cyanoethyl(methyl)sulfamoyl]piperazin-1-yl]-N,N-diethylacetamide (CID 55598815) is 2-[4-[2-cyanoethyl(methyl)sulfamoyl]piperazin-1-yl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[4-[2-cyanoethyl(methyl)sulfamoyl]piperazin-1-yl]-N,N-diethylacetamide?
The canonical SMILES for 2-[4-[2-cyanoethyl(methyl)sulfamoyl]piperazin-1-yl]-N,N-diethylacetamide is CCN(CC)C(=O)CN1CCN(S(=O)(=O)N(C)CCC#N)CC1.
What is the InChIKey of 2-[4-[2-cyanoethyl(methyl)sulfamoyl]piperazin-1-yl]-N,N-diethylacetamide?
The InChIKey is DVFWMXRSYHMVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O3S/c1-4-18(5-2)14(20)13-17-9-11-19(12-10-17)23(21,22)16(3)8-6-7-15/h4-6,8-13H2,1-3H3.
What are the key properties of 2-[4-[2-cyanoethyl(methyl)sulfamoyl]piperazin-1-yl]-N,N-diethylacetamide?
2-[4-[2-cyanoethyl(methyl)sulfamoyl]piperazin-1-yl]-N,N-diethylacetamide has a molecular weight of 345.47 g/mol, XLogP of -0.44, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-cyanoethyl(methyl)sulfamoyl]piperazin-1-yl]-N,N-diethylacetamide is sourced from PubChem (CID 55598815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).