2-(1-cyclohexylsulfonylpiperidin-4-yl)sulfonyl-N-methylacetamide

C14H26N2O5S2 — CID 90592811

IUPAC2-(1-cyclohexylsulfonylpiperidin-4-yl)sulfonyl-N-methylacetamide
SMILESCNC(=O)CS(=O)(=O)C1CCN(S(=O)(=O)C2CCCCC2)CC1
InChIInChI=1S/C14H26N2O5S2/c1-15-14(17)11-22(18,19)12-7-9-16(10-8-12)23(20,21)13-5-3-2-4-6-13/h12-13H,2-11H2,1H3,(H,15,17)
InChIKeyZTMCBHCXDBQYAV-UHFFFAOYSA-N
MW366.51 g/mol
LogP0.27
Rot. Bonds5

About 2-(1-cyclohexylsulfonylpiperidin-4-yl)sulfonyl-N-methylacetamide

2-(1-cyclohexylsulfonylpiperidin-4-yl)sulfonyl-N-methylacetamide (PubChem CID 90592811) has the molecular formula C14H26N2O5S2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 2-(1-cyclohexylsulfonylpiperidin-4-yl)sulfonyl-N-methylacetamide.

Molecular Properties

Compound Name2-(1-cyclohexylsulfonylpiperidin-4-yl)sulfonyl-N-methylacetamide
PubChem CID90592811
Molecular FormulaC14H26N2O5S2
Molecular Weight366.51 g/mol
Exact Mass366.13
IUPAC Name2-(1-cyclohexylsulfonylpiperidin-4-yl)sulfonyl-N-methylacetamide
SMILESCNC(=O)CS(=O)(=O)C1CCN(S(=O)(=O)C2CCCCC2)CC1
InChIInChI=1S/C14H26N2O5S2/c1-15-14(17)11-22(18,19)12-7-9-16(10-8-12)23(20,21)13-5-3-2-4-6-13/h12-13H,2-11H2,1H3,(H,15,17)
InChIKeyZTMCBHCXDBQYAV-UHFFFAOYSA-N
XLogP0.27
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexylsulfonylpiperidin-4-yl)sulfonyl-N-methylacetamide?
The IUPAC name of 2-(1-cyclohexylsulfonylpiperidin-4-yl)sulfonyl-N-methylacetamide (CID 90592811) is 2-(1-cyclohexylsulfonylpiperidin-4-yl)sulfonyl-N-methylacetamide.
What is the SMILES notation for 2-(1-cyclohexylsulfonylpiperidin-4-yl)sulfonyl-N-methylacetamide?
The canonical SMILES for 2-(1-cyclohexylsulfonylpiperidin-4-yl)sulfonyl-N-methylacetamide is CNC(=O)CS(=O)(=O)C1CCN(S(=O)(=O)C2CCCCC2)CC1.
What is the InChIKey of 2-(1-cyclohexylsulfonylpiperidin-4-yl)sulfonyl-N-methylacetamide?
The InChIKey is ZTMCBHCXDBQYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O5S2/c1-15-14(17)11-22(18,19)12-7-9-16(10-8-12)23(20,21)13-5-3-2-4-6-13/h12-13H,2-11H2,1H3,(H,15,17).
What are the key properties of 2-(1-cyclohexylsulfonylpiperidin-4-yl)sulfonyl-N-methylacetamide?
2-(1-cyclohexylsulfonylpiperidin-4-yl)sulfonyl-N-methylacetamide has a molecular weight of 366.51 g/mol, XLogP of 0.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexylsulfonylpiperidin-4-yl)sulfonyl-N-methylacetamide is sourced from PubChem (CID 90592811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).