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

C11H20N2O3S — CID 55014584

IUPACN-[cyano(cyclohexyl)methyl]-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)NC(C#N)C1CCCCC1
InChIInChI=1S/C11H20N2O3S/c1-16-7-8-17(14,15)13-11(9-12)10-5-3-2-4-6-10/h10-11,13H,2-8H2,1H3
InChIKeyANVIZQHFUMRYLC-UHFFFAOYSA-N
MW260.36 g/mol
LogP1.02
Rot. Bonds6

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

N-[cyano(cyclohexyl)methyl]-2-methoxyethanesulfonamide (PubChem CID 55014584) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is N-[cyano(cyclohexyl)methyl]-2-methoxyethanesulfonamide.

Molecular Properties

Compound NameN-[cyano(cyclohexyl)methyl]-2-methoxyethanesulfonamide
PubChem CID55014584
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC NameN-[cyano(cyclohexyl)methyl]-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)NC(C#N)C1CCCCC1
InChIInChI=1S/C11H20N2O3S/c1-16-7-8-17(14,15)13-11(9-12)10-5-3-2-4-6-10/h10-11,13H,2-8H2,1H3
InChIKeyANVIZQHFUMRYLC-UHFFFAOYSA-N
XLogP1.02
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclohexylmethyl)-2-methoxyethanesulfonamide
CID 72148758
4-amino-N-ethylsulfonylcyclohexane-1-carbonitrilium
CID 169825262
2-methoxy-N-(4-propan-2-ylcyclohexyl)ethanesulfonamide;molecular hydrogen
CID 178702034
2-methoxy-N-(4-propan-2-ylcyclohexyl)ethanesulfonamide
CID 178702035
ethane;N-(4-ethylcyclohexyl)-2-methoxyethanesulfonamide;molecular hydrogen
CID 178702139
N-(4-ethylcyclohexyl)-2-methoxyethanesulfonamide
CID 178702140
N-(4-ethylcyclohexyl)-2-methoxyethanesulfonamide;molecular hydrogen
CID 178702201
2-methoxy-N-(4-methylcyclohexyl)ethanesulfonamide
CID 178702295
ethane;N-(4-ethylcyclohexyl)-2-methoxyethanesulfonamide
CID 178762318
N-(1-cyanobutyl)-1-cyclohexylmethanesulfonamide
CID 54947837
N-(2-amino-1-cyclohexylethyl)-2-methoxyethanesulfonamide
CID 55009587
2-Cyclohexyl-2-(2-methoxyethylsulfonylamino)ethanethioamide
CID 55014070

Frequently Asked Questions

What is the IUPAC name of N-[cyano(cyclohexyl)methyl]-2-methoxyethanesulfonamide?
The IUPAC name of N-[cyano(cyclohexyl)methyl]-2-methoxyethanesulfonamide (CID 55014584) is N-[cyano(cyclohexyl)methyl]-2-methoxyethanesulfonamide.
What is the SMILES notation for N-[cyano(cyclohexyl)methyl]-2-methoxyethanesulfonamide?
The canonical SMILES for N-[cyano(cyclohexyl)methyl]-2-methoxyethanesulfonamide is COCCS(=O)(=O)NC(C#N)C1CCCCC1.
What is the InChIKey of N-[cyano(cyclohexyl)methyl]-2-methoxyethanesulfonamide?
The InChIKey is ANVIZQHFUMRYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c1-16-7-8-17(14,15)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-methoxyethanesulfonamide?
N-[cyano(cyclohexyl)methyl]-2-methoxyethanesulfonamide has a molecular weight of 260.36 g/mol, XLogP of 1.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano(cyclohexyl)methyl]-2-methoxyethanesulfonamide is sourced from PubChem (CID 55014584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).