N-(3-cyanopentan-3-yl)cyclohexanesulfonamide

C12H22N2O2S — CID 61123125

IUPACN-(3-cyanopentan-3-yl)cyclohexanesulfonamide
SMILESCCC(C#N)(CC)NS(=O)(=O)C1CCCCC1
InChIInChI=1S/C12H22N2O2S/c1-3-12(4-2,10-13)14-17(15,16)11-8-6-5-7-9-11/h11,14H,3-9H2,1-2H3
InChIKeyLEDJKVMXVAHGLY-UHFFFAOYSA-N
MW258.39 g/mol
LogP2.32
Rot. Bonds5

About N-(3-cyanopentan-3-yl)cyclohexanesulfonamide

N-(3-cyanopentan-3-yl)cyclohexanesulfonamide (PubChem CID 61123125) has the molecular formula C12H22N2O2S and a molecular weight of 258.39 g/mol. Its IUPAC name is N-(3-cyanopentan-3-yl)cyclohexanesulfonamide.

Molecular Properties

Compound NameN-(3-cyanopentan-3-yl)cyclohexanesulfonamide
PubChem CID61123125
Molecular FormulaC12H22N2O2S
Molecular Weight258.39 g/mol
Exact Mass258.14
IUPAC NameN-(3-cyanopentan-3-yl)cyclohexanesulfonamide
SMILESCCC(C#N)(CC)NS(=O)(=O)C1CCCCC1
InChIInChI=1S/C12H22N2O2S/c1-3-12(4-2,10-13)14-17(15,16)11-8-6-5-7-9-11/h11,14H,3-9H2,1-2H3
InChIKeyLEDJKVMXVAHGLY-UHFFFAOYSA-N
XLogP2.32
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyanopentan-3-yl)cyclohexanesulfonamide?
The IUPAC name of N-(3-cyanopentan-3-yl)cyclohexanesulfonamide (CID 61123125) is N-(3-cyanopentan-3-yl)cyclohexanesulfonamide.
What is the SMILES notation for N-(3-cyanopentan-3-yl)cyclohexanesulfonamide?
The canonical SMILES for N-(3-cyanopentan-3-yl)cyclohexanesulfonamide is CCC(C#N)(CC)NS(=O)(=O)C1CCCCC1.
What is the InChIKey of N-(3-cyanopentan-3-yl)cyclohexanesulfonamide?
The InChIKey is LEDJKVMXVAHGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S/c1-3-12(4-2,10-13)14-17(15,16)11-8-6-5-7-9-11/h11,14H,3-9H2,1-2H3.
What are the key properties of N-(3-cyanopentan-3-yl)cyclohexanesulfonamide?
N-(3-cyanopentan-3-yl)cyclohexanesulfonamide has a molecular weight of 258.39 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanopentan-3-yl)cyclohexanesulfonamide is sourced from PubChem (CID 61123125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).