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

C16H32N4O3S — CID 16599118

IUPAC2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CN1CCN(S(=O)(=O)N2CCCCCC2)CC1
InChIInChI=1S/C16H32N4O3S/c1-15(2)13-17-16(21)14-18-9-11-20(12-10-18)24(22,23)19-7-5-3-4-6-8-19/h15H,3-14H2,1-2H3,(H,17,21)
InChIKeyLKZMMYRRGAFNHX-UHFFFAOYSA-N
MW360.52 g/mol
LogP0.50
Rot. Bonds6

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

2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide (PubChem CID 16599118) has the molecular formula C16H32N4O3S and a molecular weight of 360.52 g/mol. Its IUPAC name is 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide
PubChem CID16599118
Molecular FormulaC16H32N4O3S
Molecular Weight360.52 g/mol
Exact Mass360.22
IUPAC Name2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CN1CCN(S(=O)(=O)N2CCCCCC2)CC1
InChIInChI=1S/C16H32N4O3S/c1-15(2)13-17-16(21)14-18-9-11-20(12-10-18)24(22,23)19-7-5-3-4-6-8-19/h15H,3-14H2,1-2H3,(H,17,21)
InChIKeyLKZMMYRRGAFNHX-UHFFFAOYSA-N
XLogP0.50
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.52
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[ethyl-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]amino]ethyl]-2-methylpropanamide
CID 166776952
N-[2-(azepan-1-yl)ethyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide
CID 4135815
4-(Azepan-1-ylsulfonyl)piperazin-2-one
CID 16589539
2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-cyclohexylacetamide
CID 16599067
2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(2-methylcyclohexyl)acetamide
CID 16599119
2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
CID 16599158
2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(propylcarbamoyl)acetamide
CID 16599160
2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(butylcarbamoyl)acetamide
CID 16599272
N-cyclohexyl-2-[4-(diethylsulfamoyl)piperazin-1-yl]acetamide
CID 17428120
2-[4-(Azepan-1-ylsulfonyl)piperazin-1-yl]acetamide
CID 17558919
N-[2-(azepan-1-yl)ethyl]-1-(dimethylsulfamoyl)piperidine-4-carboxamide
CID 17646951
2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-cyclopentylpropanamide
CID 18137667

Frequently Asked Questions

What is the IUPAC name of 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide (CID 16599118) is 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)CN1CCN(S(=O)(=O)N2CCCCCC2)CC1.
What is the InChIKey of 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide?
The InChIKey is LKZMMYRRGAFNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O3S/c1-15(2)13-17-16(21)14-18-9-11-20(12-10-18)24(22,23)19-7-5-3-4-6-8-19/h15H,3-14H2,1-2H3,(H,17,21).
What are the key properties of 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide?
2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide has a molecular weight of 360.52 g/mol, XLogP of 0.50, 6 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-(2-methylpropyl)acetamide is sourced from PubChem (CID 16599118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).