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

C13H27NO4S — CID 79547818

IUPAC1-cyclohexyl-N-(2,2-diethoxyethyl)methanesulfonamide
SMILESCCOC(CNS(=O)(=O)CC1CCCCC1)OCC
InChIInChI=1S/C13H27NO4S/c1-3-17-13(18-4-2)10-14-19(15,16)11-12-8-6-5-7-9-12/h12-14H,3-11H2,1-2H3
InChIKeyKEYSULUBNUGKPS-UHFFFAOYSA-N
MW293.43 g/mol
LogP1.89
Rot. Bonds9

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

1-cyclohexyl-N-(2,2-diethoxyethyl)methanesulfonamide (PubChem CID 79547818) has the molecular formula C13H27NO4S and a molecular weight of 293.43 g/mol. Its IUPAC name is 1-cyclohexyl-N-(2,2-diethoxyethyl)methanesulfonamide.

Molecular Properties

Compound Name1-cyclohexyl-N-(2,2-diethoxyethyl)methanesulfonamide
PubChem CID79547818
Molecular FormulaC13H27NO4S
Molecular Weight293.43 g/mol
Exact Mass293.17
IUPAC Name1-cyclohexyl-N-(2,2-diethoxyethyl)methanesulfonamide
SMILESCCOC(CNS(=O)(=O)CC1CCCCC1)OCC
InChIInChI=1S/C13H27NO4S/c1-3-17-13(18-4-2)10-14-19(15,16)11-12-8-6-5-7-9-12/h12-14H,3-11H2,1-2H3
InChIKeyKEYSULUBNUGKPS-UHFFFAOYSA-N
XLogP1.89
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 51.89
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-diethoxyethyl)methanesulfonamide?
The IUPAC name of 1-cyclohexyl-N-(2,2-diethoxyethyl)methanesulfonamide (CID 79547818) is 1-cyclohexyl-N-(2,2-diethoxyethyl)methanesulfonamide.
What is the SMILES notation for 1-cyclohexyl-N-(2,2-diethoxyethyl)methanesulfonamide?
The canonical SMILES for 1-cyclohexyl-N-(2,2-diethoxyethyl)methanesulfonamide is CCOC(CNS(=O)(=O)CC1CCCCC1)OCC.
What is the InChIKey of 1-cyclohexyl-N-(2,2-diethoxyethyl)methanesulfonamide?
The InChIKey is KEYSULUBNUGKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO4S/c1-3-17-13(18-4-2)10-14-19(15,16)11-12-8-6-5-7-9-12/h12-14H,3-11H2,1-2H3.
What are the key properties of 1-cyclohexyl-N-(2,2-diethoxyethyl)methanesulfonamide?
1-cyclohexyl-N-(2,2-diethoxyethyl)methanesulfonamide has a molecular weight of 293.43 g/mol, XLogP of 1.89, 9 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-diethoxyethyl)methanesulfonamide is sourced from PubChem (CID 79547818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).