N-(3,3-dimethyl-1,2-dihydroinden-2-yl)-2,2-dimethoxyethanesulfonamide

C15H23NO4S — CID 166394428

IUPACN-(3,3-dimethyl-1,2-dihydroinden-2-yl)-2,2-dimethoxyethanesulfonamide
SMILESCOC(CS(=O)(=O)NC1Cc2ccccc2C1(C)C)OC
InChIInChI=1S/C15H23NO4S/c1-15(2)12-8-6-5-7-11(12)9-13(15)16-21(17,18)10-14(19-3)20-4/h5-8,13-14,16H,9-10H2,1-4H3
InChIKeyBELVALLHNBSVCC-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.43
Rot. Bonds6

About N-(3,3-dimethyl-1,2-dihydroinden-2-yl)-2,2-dimethoxyethanesulfonamide

N-(3,3-dimethyl-1,2-dihydroinden-2-yl)-2,2-dimethoxyethanesulfonamide (PubChem CID 166394428) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is N-(3,3-dimethyl-1,2-dihydroinden-2-yl)-2,2-dimethoxyethanesulfonamide.

Molecular Properties

Compound NameN-(3,3-dimethyl-1,2-dihydroinden-2-yl)-2,2-dimethoxyethanesulfonamide
PubChem CID166394428
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC NameN-(3,3-dimethyl-1,2-dihydroinden-2-yl)-2,2-dimethoxyethanesulfonamide
SMILESCOC(CS(=O)(=O)NC1Cc2ccccc2C1(C)C)OC
InChIInChI=1S/C15H23NO4S/c1-15(2)12-8-6-5-7-11(12)9-13(15)16-21(17,18)10-14(19-3)20-4/h5-8,13-14,16H,9-10H2,1-4H3
InChIKeyBELVALLHNBSVCC-UHFFFAOYSA-N
XLogP1.43
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.43
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 N-(3,3-dimethyl-1,2-dihydroinden-2-yl)-2,2-dimethoxyethanesulfonamide?
The IUPAC name of N-(3,3-dimethyl-1,2-dihydroinden-2-yl)-2,2-dimethoxyethanesulfonamide (CID 166394428) is N-(3,3-dimethyl-1,2-dihydroinden-2-yl)-2,2-dimethoxyethanesulfonamide.
What is the SMILES notation for N-(3,3-dimethyl-1,2-dihydroinden-2-yl)-2,2-dimethoxyethanesulfonamide?
The canonical SMILES for N-(3,3-dimethyl-1,2-dihydroinden-2-yl)-2,2-dimethoxyethanesulfonamide is COC(CS(=O)(=O)NC1Cc2ccccc2C1(C)C)OC.
What is the InChIKey of N-(3,3-dimethyl-1,2-dihydroinden-2-yl)-2,2-dimethoxyethanesulfonamide?
The InChIKey is BELVALLHNBSVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4S/c1-15(2)12-8-6-5-7-11(12)9-13(15)16-21(17,18)10-14(19-3)20-4/h5-8,13-14,16H,9-10H2,1-4H3.
What are the key properties of N-(3,3-dimethyl-1,2-dihydroinden-2-yl)-2,2-dimethoxyethanesulfonamide?
N-(3,3-dimethyl-1,2-dihydroinden-2-yl)-2,2-dimethoxyethanesulfonamide has a molecular weight of 313.42 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethyl-1,2-dihydroinden-2-yl)-2,2-dimethoxyethanesulfonamide is sourced from PubChem (CID 166394428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).