2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-cyclohexylacetamide

C18H34N4O3S — CID 16599067

IUPAC2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-cyclohexylacetamide
SMILESO=C(CN1CCN(S(=O)(=O)N2CCCCCC2)CC1)NC1CCCCC1
InChIInChI=1S/C18H34N4O3S/c23-18(19-17-8-4-3-5-9-17)16-20-12-14-22(15-13-20)26(24,25)21-10-6-1-2-7-11-21/h17H,1-16H2,(H,19,23)
InChIKeyAOCQCQCGRDLYOF-UHFFFAOYSA-N
MW386.56 g/mol
LogP1.17
Rot. Bonds5

About 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-cyclohexylacetamide

2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-cyclohexylacetamide (PubChem CID 16599067) has the molecular formula C18H34N4O3S and a molecular weight of 386.56 g/mol. Its IUPAC name is 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-cyclohexylacetamide
PubChem CID16599067
Molecular FormulaC18H34N4O3S
Molecular Weight386.56 g/mol
Exact Mass386.24
IUPAC Name2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-cyclohexylacetamide
SMILESO=C(CN1CCN(S(=O)(=O)N2CCCCCC2)CC1)NC1CCCCC1
InChIInChI=1S/C18H34N4O3S/c23-18(19-17-8-4-3-5-9-17)16-20-12-14-22(15-13-20)26(24,25)21-10-6-1-2-7-11-21/h17H,1-16H2,(H,19,23)
InChIKeyAOCQCQCGRDLYOF-UHFFFAOYSA-N
XLogP1.17
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.56
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-2-[4-(2-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]acetamide
CID 42955196
Cambridge id 6949498
CID 4199096
N-cyclohexyl-N-methyl-3-oxopiperazine-1-sulfonamide
CID 37225406
2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 78876950
N-cyclohexyl-2-[4-(dimethylsulfamoyl)piperazin-1-yl]acetamide
CID 1442490
2-(azepan-1-ium-1-yl)-N,N-dicyclohexylacetamide
CID 4170985
4-(Azepan-1-ylsulfonyl)piperazin-2-one
CID 16589539
2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 16599118
2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(2-methylcyclohexyl)acetamide
CID 16599119
2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(cyclohexylcarbamoyl)acetamide
CID 16599138
N-cyclohexyl-2-[4-(diethylsulfamoyl)piperazin-1-yl]acetamide
CID 17428120
2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(cyclohexylcarbamoyl)acetamide
CID 17553007

Frequently Asked Questions

What is the IUPAC name of 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-cyclohexylacetamide?
The IUPAC name of 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-cyclohexylacetamide (CID 16599067) is 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-cyclohexylacetamide?
The canonical SMILES for 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-cyclohexylacetamide is O=C(CN1CCN(S(=O)(=O)N2CCCCCC2)CC1)NC1CCCCC1.
What is the InChIKey of 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-cyclohexylacetamide?
The InChIKey is AOCQCQCGRDLYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O3S/c23-18(19-17-8-4-3-5-9-17)16-20-12-14-22(15-13-20)26(24,25)21-10-6-1-2-7-11-21/h17H,1-16H2,(H,19,23).
What are the key properties of 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-cyclohexylacetamide?
2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-cyclohexylacetamide has a molecular weight of 386.56 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-cyclohexylacetamide is sourced from PubChem (CID 16599067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).