N-cyclohexyl-2-[4-(dimethylsulfamoyl)piperazin-1-yl]acetamide

C14H28N4O3S — CID 1442490

IUPACN-cyclohexyl-2-[4-(dimethylsulfamoyl)piperazin-1-yl]acetamide
SMILESCN(C)S(=O)(=O)N1CCN(CC(=O)NC2CCCCC2)CC1
InChIInChI=1S/C14H28N4O3S/c1-16(2)22(20,21)18-10-8-17(9-11-18)12-14(19)15-13-6-4-3-5-7-13/h13H,3-12H2,1-2H3,(H,15,19)
InChIKeyMZRKSGXDFMSGRH-UHFFFAOYSA-N
MW332.47 g/mol
LogP-0.14
Rot. Bonds5

About N-cyclohexyl-2-[4-(dimethylsulfamoyl)piperazin-1-yl]acetamide

N-cyclohexyl-2-[4-(dimethylsulfamoyl)piperazin-1-yl]acetamide (PubChem CID 1442490) has the molecular formula C14H28N4O3S and a molecular weight of 332.47 g/mol. Its IUPAC name is N-cyclohexyl-2-[4-(dimethylsulfamoyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[4-(dimethylsulfamoyl)piperazin-1-yl]acetamide
PubChem CID1442490
Molecular FormulaC14H28N4O3S
Molecular Weight332.47 g/mol
Exact Mass332.19
IUPAC NameN-cyclohexyl-2-[4-(dimethylsulfamoyl)piperazin-1-yl]acetamide
SMILESCN(C)S(=O)(=O)N1CCN(CC(=O)NC2CCCCC2)CC1
InChIInChI=1S/C14H28N4O3S/c1-16(2)22(20,21)18-10-8-17(9-11-18)12-14(19)15-13-6-4-3-5-7-13/h13H,3-12H2,1-2H3,(H,15,19)
InChIKeyMZRKSGXDFMSGRH-UHFFFAOYSA-N
XLogP-0.14
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Esaprazole
CID 68835
N-cyclohexyl-2-(4-ethylsulfonylpiperazin-1-yl)acetamide;hydrochloride
CID 16188121
N-Cyclohexyl-2-oxo-2-(1-piperidinyl)ethaneamine
CID 10242745
2-[cyclohexyl(methylsulfonyl)amino]-N-ethylacetamide
CID 1815811
4-(2-amino-2-oxoethyl)-N-cyclohexyl-1-piperazinecarboxamide
CID 2056604
Sodium 4-[2-(cyclohexylamino)-2-oxoethyl]piperazine-1-carbothioate
CID 155542606
Esaprazole hydrochloride
CID 6917681
2-[cyclohexyl(methylsulfonyl)amino]-N-propylacetamide
CID 1815812
N-butyl-2-[cyclohexyl(methylsulfonyl)amino]acetamide
CID 1815814
N-cyclohexyl-2-(4-methyl-1-piperazinyl)acetamide hydrochloride
CID 2959786
1-Cyclohexylpiperazin-2-one
CID 3157471
N-cyclohexyl-2-(4-propanoylpiperazin-1-yl)acetamide
CID 49853778

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[4-(dimethylsulfamoyl)piperazin-1-yl]acetamide?
The IUPAC name of N-cyclohexyl-2-[4-(dimethylsulfamoyl)piperazin-1-yl]acetamide (CID 1442490) is N-cyclohexyl-2-[4-(dimethylsulfamoyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[4-(dimethylsulfamoyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[4-(dimethylsulfamoyl)piperazin-1-yl]acetamide is CN(C)S(=O)(=O)N1CCN(CC(=O)NC2CCCCC2)CC1.
What is the InChIKey of N-cyclohexyl-2-[4-(dimethylsulfamoyl)piperazin-1-yl]acetamide?
The InChIKey is MZRKSGXDFMSGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O3S/c1-16(2)22(20,21)18-10-8-17(9-11-18)12-14(19)15-13-6-4-3-5-7-13/h13H,3-12H2,1-2H3,(H,15,19).
What are the key properties of N-cyclohexyl-2-[4-(dimethylsulfamoyl)piperazin-1-yl]acetamide?
N-cyclohexyl-2-[4-(dimethylsulfamoyl)piperazin-1-yl]acetamide has a molecular weight of 332.47 g/mol, XLogP of -0.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[4-(dimethylsulfamoyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 1442490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).