N-(2-anilinoethyl)-1-[(2R)-6,6-dimethyl-1,4-dioxan-2-yl]methanesulfonamide

C15H24N2O4S — CID 164631292

IUPACN-(2-anilinoethyl)-1-[(2R)-6,6-dimethyl-1,4-dioxan-2-yl]methanesulfonamide
SMILESCC1(C)COC[C@H](CS(=O)(=O)NCCNc2ccccc2)O1
InChIInChI=1S/C15H24N2O4S/c1-15(2)12-20-10-14(21-15)11-22(18,19)17-9-8-16-13-6-4-3-5-7-13/h3-7,14,16-17H,8-12H2,1-2H3/t14-/m1/s1
InChIKeyJSYSUTSBOSDWPG-CQSZACIVSA-N
MW328.43 g/mol
LogP1.21
Rot. Bonds7

About N-(2-anilinoethyl)-1-[(2R)-6,6-dimethyl-1,4-dioxan-2-yl]methanesulfonamide

N-(2-anilinoethyl)-1-[(2R)-6,6-dimethyl-1,4-dioxan-2-yl]methanesulfonamide (PubChem CID 164631292) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is N-(2-anilinoethyl)-1-[(2R)-6,6-dimethyl-1,4-dioxan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-(2-anilinoethyl)-1-[(2R)-6,6-dimethyl-1,4-dioxan-2-yl]methanesulfonamide
PubChem CID164631292
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC NameN-(2-anilinoethyl)-1-[(2R)-6,6-dimethyl-1,4-dioxan-2-yl]methanesulfonamide
SMILESCC1(C)COC[C@H](CS(=O)(=O)NCCNc2ccccc2)O1
InChIInChI=1S/C15H24N2O4S/c1-15(2)12-20-10-14(21-15)11-22(18,19)17-9-8-16-13-6-4-3-5-7-13/h3-7,14,16-17H,8-12H2,1-2H3/t14-/m1/s1
InChIKeyJSYSUTSBOSDWPG-CQSZACIVSA-N
XLogP1.21
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-anilinoethyl)-1-[(2R)-6,6-dimethyl-1,4-dioxan-2-yl]methanesulfonamide?
The IUPAC name of N-(2-anilinoethyl)-1-[(2R)-6,6-dimethyl-1,4-dioxan-2-yl]methanesulfonamide (CID 164631292) is N-(2-anilinoethyl)-1-[(2R)-6,6-dimethyl-1,4-dioxan-2-yl]methanesulfonamide.
What is the SMILES notation for N-(2-anilinoethyl)-1-[(2R)-6,6-dimethyl-1,4-dioxan-2-yl]methanesulfonamide?
The canonical SMILES for N-(2-anilinoethyl)-1-[(2R)-6,6-dimethyl-1,4-dioxan-2-yl]methanesulfonamide is CC1(C)COC[C@H](CS(=O)(=O)NCCNc2ccccc2)O1.
What is the InChIKey of N-(2-anilinoethyl)-1-[(2R)-6,6-dimethyl-1,4-dioxan-2-yl]methanesulfonamide?
The InChIKey is JSYSUTSBOSDWPG-CQSZACIVSA-N. The full InChI is InChI=1S/C15H24N2O4S/c1-15(2)12-20-10-14(21-15)11-22(18,19)17-9-8-16-13-6-4-3-5-7-13/h3-7,14,16-17H,8-12H2,1-2H3/t14-/m1/s1.
What are the key properties of N-(2-anilinoethyl)-1-[(2R)-6,6-dimethyl-1,4-dioxan-2-yl]methanesulfonamide?
N-(2-anilinoethyl)-1-[(2R)-6,6-dimethyl-1,4-dioxan-2-yl]methanesulfonamide has a molecular weight of 328.43 g/mol, XLogP of 1.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilinoethyl)-1-[(2R)-6,6-dimethyl-1,4-dioxan-2-yl]methanesulfonamide is sourced from PubChem (CID 164631292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).