1-cyclohexyl-N-(2,2-dimethoxyethyl)methanesulfonamide

C11H23NO4S — CID 62967339

IUPAC1-cyclohexyl-N-(2,2-dimethoxyethyl)methanesulfonamide
SMILESCOC(CNS(=O)(=O)CC1CCCCC1)OC
InChIInChI=1S/C11H23NO4S/c1-15-11(16-2)8-12-17(13,14)9-10-6-4-3-5-7-10/h10-12H,3-9H2,1-2H3
InChIKeyBSTXJIWONGRSKA-UHFFFAOYSA-N
MW265.37 g/mol
LogP1.11
Rot. Bonds7

About 1-cyclohexyl-N-(2,2-dimethoxyethyl)methanesulfonamide

1-cyclohexyl-N-(2,2-dimethoxyethyl)methanesulfonamide (PubChem CID 62967339) has the molecular formula C11H23NO4S and a molecular weight of 265.37 g/mol. Its IUPAC name is 1-cyclohexyl-N-(2,2-dimethoxyethyl)methanesulfonamide.

Molecular Properties

Compound Name1-cyclohexyl-N-(2,2-dimethoxyethyl)methanesulfonamide
PubChem CID62967339
Molecular FormulaC11H23NO4S
Molecular Weight265.37 g/mol
Exact Mass265.13
IUPAC Name1-cyclohexyl-N-(2,2-dimethoxyethyl)methanesulfonamide
SMILESCOC(CNS(=O)(=O)CC1CCCCC1)OC
InChIInChI=1S/C11H23NO4S/c1-15-11(16-2)8-12-17(13,14)9-10-6-4-3-5-7-10/h10-12H,3-9H2,1-2H3
InChIKeyBSTXJIWONGRSKA-UHFFFAOYSA-N
XLogP1.11
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-(2,2-dimethoxyethyl)methanesulfonamide?
The IUPAC name of 1-cyclohexyl-N-(2,2-dimethoxyethyl)methanesulfonamide (CID 62967339) is 1-cyclohexyl-N-(2,2-dimethoxyethyl)methanesulfonamide.
What is the SMILES notation for 1-cyclohexyl-N-(2,2-dimethoxyethyl)methanesulfonamide?
The canonical SMILES for 1-cyclohexyl-N-(2,2-dimethoxyethyl)methanesulfonamide is COC(CNS(=O)(=O)CC1CCCCC1)OC.
What is the InChIKey of 1-cyclohexyl-N-(2,2-dimethoxyethyl)methanesulfonamide?
The InChIKey is BSTXJIWONGRSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4S/c1-15-11(16-2)8-12-17(13,14)9-10-6-4-3-5-7-10/h10-12H,3-9H2,1-2H3.
What are the key properties of 1-cyclohexyl-N-(2,2-dimethoxyethyl)methanesulfonamide?
1-cyclohexyl-N-(2,2-dimethoxyethyl)methanesulfonamide has a molecular weight of 265.37 g/mol, XLogP of 1.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-(2,2-dimethoxyethyl)methanesulfonamide is sourced from PubChem (CID 62967339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).