N-(2-chlorocyclohexyl)-2-methyl-2-methylsulfonylpropanamide

C11H20ClNO3S — CID 114301161

IUPACN-(2-chlorocyclohexyl)-2-methyl-2-methylsulfonylpropanamide
SMILESCC(C)(C(=O)NC1CCCCC1Cl)S(C)(=O)=O
InChIInChI=1S/C11H20ClNO3S/c1-11(2,17(3,15)16)10(14)13-9-7-5-4-6-8(9)12/h8-9H,4-7H2,1-3H3,(H,13,14)
InChIKeyIJAWSLWRSRDZEX-UHFFFAOYSA-N
MW281.81 g/mol
LogP1.48
Rot. Bonds3

About N-(2-chlorocyclohexyl)-2-methyl-2-methylsulfonylpropanamide

N-(2-chlorocyclohexyl)-2-methyl-2-methylsulfonylpropanamide (PubChem CID 114301161) has the molecular formula C11H20ClNO3S and a molecular weight of 281.81 g/mol. Its IUPAC name is N-(2-chlorocyclohexyl)-2-methyl-2-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-(2-chlorocyclohexyl)-2-methyl-2-methylsulfonylpropanamide
PubChem CID114301161
Molecular FormulaC11H20ClNO3S
Molecular Weight281.81 g/mol
Exact Mass281.09
IUPAC NameN-(2-chlorocyclohexyl)-2-methyl-2-methylsulfonylpropanamide
SMILESCC(C)(C(=O)NC1CCCCC1Cl)S(C)(=O)=O
InChIInChI=1S/C11H20ClNO3S/c1-11(2,17(3,15)16)10(14)13-9-7-5-4-6-8(9)12/h8-9H,4-7H2,1-3H3,(H,13,14)
InChIKeyIJAWSLWRSRDZEX-UHFFFAOYSA-N
XLogP1.48
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.81
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorocyclohexyl)-2-methyl-2-methylsulfonylpropanamide?
The IUPAC name of N-(2-chlorocyclohexyl)-2-methyl-2-methylsulfonylpropanamide (CID 114301161) is N-(2-chlorocyclohexyl)-2-methyl-2-methylsulfonylpropanamide.
What is the SMILES notation for N-(2-chlorocyclohexyl)-2-methyl-2-methylsulfonylpropanamide?
The canonical SMILES for N-(2-chlorocyclohexyl)-2-methyl-2-methylsulfonylpropanamide is CC(C)(C(=O)NC1CCCCC1Cl)S(C)(=O)=O.
What is the InChIKey of N-(2-chlorocyclohexyl)-2-methyl-2-methylsulfonylpropanamide?
The InChIKey is IJAWSLWRSRDZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO3S/c1-11(2,17(3,15)16)10(14)13-9-7-5-4-6-8(9)12/h8-9H,4-7H2,1-3H3,(H,13,14).
What are the key properties of N-(2-chlorocyclohexyl)-2-methyl-2-methylsulfonylpropanamide?
N-(2-chlorocyclohexyl)-2-methyl-2-methylsulfonylpropanamide has a molecular weight of 281.81 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorocyclohexyl)-2-methyl-2-methylsulfonylpropanamide is sourced from PubChem (CID 114301161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).