3-[(4-methoxyphenyl)methoxy]-2,2-dimethylpropane-1-sulfonamide

C13H21NO4S — CID 64999486

IUPAC3-[(4-methoxyphenyl)methoxy]-2,2-dimethylpropane-1-sulfonamide
SMILESCOc1ccc(COCC(C)(C)CS(N)(=O)=O)cc1
InChIInChI=1S/C13H21NO4S/c1-13(2,10-19(14,15)16)9-18-8-11-4-6-12(17-3)7-5-11/h4-7H,8-10H2,1-3H3,(H2,14,15,16)
InChIKeyDJNIKVMZXRIAFM-UHFFFAOYSA-N
MW287.38 g/mol
LogP1.53
Rot. Bonds7

About 3-[(4-methoxyphenyl)methoxy]-2,2-dimethylpropane-1-sulfonamide

3-[(4-methoxyphenyl)methoxy]-2,2-dimethylpropane-1-sulfonamide (PubChem CID 64999486) has the molecular formula C13H21NO4S and a molecular weight of 287.38 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)methoxy]-2,2-dimethylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)methoxy]-2,2-dimethylpropane-1-sulfonamide
PubChem CID64999486
Molecular FormulaC13H21NO4S
Molecular Weight287.38 g/mol
Exact Mass287.12
IUPAC Name3-[(4-methoxyphenyl)methoxy]-2,2-dimethylpropane-1-sulfonamide
SMILESCOc1ccc(COCC(C)(C)CS(N)(=O)=O)cc1
InChIInChI=1S/C13H21NO4S/c1-13(2,10-19(14,15)16)9-18-8-11-4-6-12(17-3)7-5-11/h4-7H,8-10H2,1-3H3,(H2,14,15,16)
InChIKeyDJNIKVMZXRIAFM-UHFFFAOYSA-N
XLogP1.53
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-2-[(4-methoxyphenyl)methoxymethyl]butane-1-sulfonamide
CID 65003749
3-[(3-bromophenyl)methoxy]-2,2-dimethylpropane-1-sulfonamide
CID 82827332
N-tert-butyl-3-[(4-methoxyphenyl)methoxy]-2,2-dimethylpropan-1-amine
CID 79628757
1-[(2-methanidyl-2-methylpropoxy)methyl]-4-methoxybenzene;zinc;hydrobromide
CID 175502067
2-(hydroxymethyl)-2-[(4-methoxyphenyl)methoxymethyl]propane-1,3-diol
CID 15417178
ethyl 5-[(4-methoxyphenyl)methoxy]-4,4-dimethyl-3-oxopentanoate
CID 11034192
1-methoxy-4-[[(E)-4-[(4-methoxyphenyl)methoxy]but-2-enoxy]methyl]benzene
CID 14814212
1-methoxy-4-[(2-methylpropan-2-yl)oxymethyl]benzene
CID 11206354
1,2-bis(4-methoxyphenyl)propan-2-amine
CID 63273092
N-tert-butylsulfanyl-3-[(4-methoxyphenyl)methoxy]-2,2-dimethylpropan-1-imine
CID 174083682
[1-(4-methoxyphenyl)-2-methylpropan-2-yl] methanesulfonate
CID 130404412
(4-methoxyphenyl)methylsulfanylmethanesulfonamide
CID 14460406

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)methoxy]-2,2-dimethylpropane-1-sulfonamide?
The IUPAC name of 3-[(4-methoxyphenyl)methoxy]-2,2-dimethylpropane-1-sulfonamide (CID 64999486) is 3-[(4-methoxyphenyl)methoxy]-2,2-dimethylpropane-1-sulfonamide.
What is the SMILES notation for 3-[(4-methoxyphenyl)methoxy]-2,2-dimethylpropane-1-sulfonamide?
The canonical SMILES for 3-[(4-methoxyphenyl)methoxy]-2,2-dimethylpropane-1-sulfonamide is COc1ccc(COCC(C)(C)CS(N)(=O)=O)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)methoxy]-2,2-dimethylpropane-1-sulfonamide?
The InChIKey is DJNIKVMZXRIAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4S/c1-13(2,10-19(14,15)16)9-18-8-11-4-6-12(17-3)7-5-11/h4-7H,8-10H2,1-3H3,(H2,14,15,16).
What are the key properties of 3-[(4-methoxyphenyl)methoxy]-2,2-dimethylpropane-1-sulfonamide?
3-[(4-methoxyphenyl)methoxy]-2,2-dimethylpropane-1-sulfonamide has a molecular weight of 287.38 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)methoxy]-2,2-dimethylpropane-1-sulfonamide is sourced from PubChem (CID 64999486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).