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

C19H36N4O3S — CID 16599119

IUPAC2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(2-methylcyclohexyl)acetamide
SMILESCC1CCCCC1NC(=O)CN1CCN(S(=O)(=O)N2CCCCCC2)CC1
InChIInChI=1S/C19H36N4O3S/c1-17-8-4-5-9-18(17)20-19(24)16-21-12-14-23(15-13-21)27(25,26)22-10-6-2-3-7-11-22/h17-18H,2-16H2,1H3,(H,20,24)
InChIKeyYQCZDRCYILTJIL-UHFFFAOYSA-N
MW400.59 g/mol
LogP1.42
Rot. Bonds5

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

2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(2-methylcyclohexyl)acetamide (PubChem CID 16599119) has the molecular formula C19H36N4O3S and a molecular weight of 400.59 g/mol. Its IUPAC name is 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(2-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(2-methylcyclohexyl)acetamide
PubChem CID16599119
Molecular FormulaC19H36N4O3S
Molecular Weight400.59 g/mol
Exact Mass400.25
IUPAC Name2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(2-methylcyclohexyl)acetamide
SMILESCC1CCCCC1NC(=O)CN1CCN(S(=O)(=O)N2CCCCCC2)CC1
InChIInChI=1S/C19H36N4O3S/c1-17-8-4-5-9-18(17)20-19(24)16-21-12-14-23(15-13-21)27(25,26)22-10-6-2-3-7-11-22/h17-18H,2-16H2,1H3,(H,20,24)
InChIKeyYQCZDRCYILTJIL-UHFFFAOYSA-N
XLogP1.42
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.59
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(2-methylcyclohexyl)acetamide?
The IUPAC name of 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(2-methylcyclohexyl)acetamide (CID 16599119) is 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(2-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(2-methylcyclohexyl)acetamide?
The canonical SMILES for 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(2-methylcyclohexyl)acetamide is CC1CCCCC1NC(=O)CN1CCN(S(=O)(=O)N2CCCCCC2)CC1.
What is the InChIKey of 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(2-methylcyclohexyl)acetamide?
The InChIKey is YQCZDRCYILTJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N4O3S/c1-17-8-4-5-9-18(17)20-19(24)16-21-12-14-23(15-13-21)27(25,26)22-10-6-2-3-7-11-22/h17-18H,2-16H2,1H3,(H,20,24).
What are the key properties of 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(2-methylcyclohexyl)acetamide?
2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(2-methylcyclohexyl)acetamide has a molecular weight of 400.59 g/mol, XLogP of 1.42, 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-(2-methylcyclohexyl)acetamide is sourced from PubChem (CID 16599119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).