N-[cyano(cyclohexyl)methyl]-2-methylsulfonylethanesulfonamide

C11H20N2O4S2 — CID 55173888

IUPACN-[cyano(cyclohexyl)methyl]-2-methylsulfonylethanesulfonamide
SMILESCS(=O)(=O)CCS(=O)(=O)NC(C#N)C1CCCCC1
InChIInChI=1S/C11H20N2O4S2/c1-18(14,15)7-8-19(16,17)13-11(9-12)10-5-3-2-4-6-10/h10-11,13H,2-8H2,1H3
InChIKeyGYDVCYIVVPHWNJ-UHFFFAOYSA-N
MW308.43 g/mol
LogP0.42
Rot. Bonds6

About N-[cyano(cyclohexyl)methyl]-2-methylsulfonylethanesulfonamide

N-[cyano(cyclohexyl)methyl]-2-methylsulfonylethanesulfonamide (PubChem CID 55173888) has the molecular formula C11H20N2O4S2 and a molecular weight of 308.43 g/mol. Its IUPAC name is N-[cyano(cyclohexyl)methyl]-2-methylsulfonylethanesulfonamide.

Molecular Properties

Compound NameN-[cyano(cyclohexyl)methyl]-2-methylsulfonylethanesulfonamide
PubChem CID55173888
Molecular FormulaC11H20N2O4S2
Molecular Weight308.43 g/mol
Exact Mass308.09
IUPAC NameN-[cyano(cyclohexyl)methyl]-2-methylsulfonylethanesulfonamide
SMILESCS(=O)(=O)CCS(=O)(=O)NC(C#N)C1CCCCC1
InChIInChI=1S/C11H20N2O4S2/c1-18(14,15)7-8-19(16,17)13-11(9-12)10-5-3-2-4-6-10/h10-11,13H,2-8H2,1H3
InChIKeyGYDVCYIVVPHWNJ-UHFFFAOYSA-N
XLogP0.42
TPSA104.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[cyano(cyclohexyl)methyl]-2-methylsulfonylethanesulfonamide?
The IUPAC name of N-[cyano(cyclohexyl)methyl]-2-methylsulfonylethanesulfonamide (CID 55173888) is N-[cyano(cyclohexyl)methyl]-2-methylsulfonylethanesulfonamide.
What is the SMILES notation for N-[cyano(cyclohexyl)methyl]-2-methylsulfonylethanesulfonamide?
The canonical SMILES for N-[cyano(cyclohexyl)methyl]-2-methylsulfonylethanesulfonamide is CS(=O)(=O)CCS(=O)(=O)NC(C#N)C1CCCCC1.
What is the InChIKey of N-[cyano(cyclohexyl)methyl]-2-methylsulfonylethanesulfonamide?
The InChIKey is GYDVCYIVVPHWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4S2/c1-18(14,15)7-8-19(16,17)13-11(9-12)10-5-3-2-4-6-10/h10-11,13H,2-8H2,1H3.
What are the key properties of N-[cyano(cyclohexyl)methyl]-2-methylsulfonylethanesulfonamide?
N-[cyano(cyclohexyl)methyl]-2-methylsulfonylethanesulfonamide has a molecular weight of 308.43 g/mol, XLogP of 0.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano(cyclohexyl)methyl]-2-methylsulfonylethanesulfonamide is sourced from PubChem (CID 55173888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).