N-tert-butyl-4-(2-methylbut-3-en-2-yloxy)benzenesulfinamide

C15H23NO2S — CID 139639329

IUPACN-tert-butyl-4-(2-methylbut-3-en-2-yloxy)benzenesulfinamide
SMILESC=CC(C)(C)Oc1ccc(S(=O)NC(C)(C)C)cc1
InChIInChI=1S/C15H23NO2S/c1-7-15(5,6)18-12-8-10-13(11-9-12)19(17)16-14(2,3)4/h7-11,16H,1H2,2-6H3
InChIKeyCHAVWYMWCFXWMB-UHFFFAOYSA-N
MW281.42 g/mol
LogP3.44
Rot. Bonds5

About N-tert-butyl-4-(2-methylbut-3-en-2-yloxy)benzenesulfinamide

N-tert-butyl-4-(2-methylbut-3-en-2-yloxy)benzenesulfinamide (PubChem CID 139639329) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is N-tert-butyl-4-(2-methylbut-3-en-2-yloxy)benzenesulfinamide.

Molecular Properties

Compound NameN-tert-butyl-4-(2-methylbut-3-en-2-yloxy)benzenesulfinamide
PubChem CID139639329
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC NameN-tert-butyl-4-(2-methylbut-3-en-2-yloxy)benzenesulfinamide
SMILESC=CC(C)(C)Oc1ccc(S(=O)NC(C)(C)C)cc1
InChIInChI=1S/C15H23NO2S/c1-7-15(5,6)18-12-8-10-13(11-9-12)19(17)16-14(2,3)4/h7-11,16H,1H2,2-6H3
InChIKeyCHAVWYMWCFXWMB-UHFFFAOYSA-N
XLogP3.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2-methylbut-3-en-2-yloxy)-N-propylbenzenesulfinamide
CID 139639346
1-methyl-4-(2-methylbut-3-en-2-yloxy)benzene
CID 578552
N-[4-(2-methylbut-3-en-2-yloxy)phenyl]cyclohexanesulfinamide
CID 139638959
N-tert-butyl-4-(3-hydroxy-2-methyl-4-piperazin-1-ylbutan-2-yl)oxybenzenesulfinamide
CID 139639253
2-[4-(2-methylbut-3-en-2-yloxy)phenyl]acetonitrile
CID 139639178
1-[4-(2-methylbut-3-en-2-yloxy)phenyl]heptan-1-one
CID 139638747
hexyl N-[4-(2-methylbut-3-en-2-yloxy)phenyl]carbamate
CID 139639174
hexyl 4-(2-methylbut-3-en-2-yloxy)benzenesulfonate
CID 139638858
N-ethyl-4-(4-hydroxy-2-methylbutan-2-yl)oxybenzenesulfinamide
CID 139639198
4-methoxy-2-(2-methylbut-3-en-2-yloxy)benzaldehyde
CID 134843951
N-cyclohexyl-4-[2-(oxiran-2-yl)propan-2-yloxy]benzenesulfinamide
CID 139639195
1-methoxy-2-(2-methylbut-3-en-2-yloxy)benzene
CID 72701251

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(2-methylbut-3-en-2-yloxy)benzenesulfinamide?
The IUPAC name of N-tert-butyl-4-(2-methylbut-3-en-2-yloxy)benzenesulfinamide (CID 139639329) is N-tert-butyl-4-(2-methylbut-3-en-2-yloxy)benzenesulfinamide.
What is the SMILES notation for N-tert-butyl-4-(2-methylbut-3-en-2-yloxy)benzenesulfinamide?
The canonical SMILES for N-tert-butyl-4-(2-methylbut-3-en-2-yloxy)benzenesulfinamide is C=CC(C)(C)Oc1ccc(S(=O)NC(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-4-(2-methylbut-3-en-2-yloxy)benzenesulfinamide?
The InChIKey is CHAVWYMWCFXWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-7-15(5,6)18-12-8-10-13(11-9-12)19(17)16-14(2,3)4/h7-11,16H,1H2,2-6H3.
What are the key properties of N-tert-butyl-4-(2-methylbut-3-en-2-yloxy)benzenesulfinamide?
N-tert-butyl-4-(2-methylbut-3-en-2-yloxy)benzenesulfinamide has a molecular weight of 281.42 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(2-methylbut-3-en-2-yloxy)benzenesulfinamide is sourced from PubChem (CID 139639329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).