N-[1-[4-(difluoromethoxy)phenyl]ethyl]-2-methylpropane-2-sulfinamide

C13H19F2NO2S — CID 69247038

IUPACN-[1-[4-(difluoromethoxy)phenyl]ethyl]-2-methylpropane-2-sulfinamide
SMILESCC(NS(=O)C(C)(C)C)c1ccc(OC(F)F)cc1
InChIInChI=1S/C13H19F2NO2S/c1-9(16-19(17)13(2,3)4)10-5-7-11(8-6-10)18-12(14)15/h5-9,12,16H,1-4H3
InChIKeyOPPUBJRNHAQTMC-UHFFFAOYSA-N
MW291.36 g/mol
LogP3.40
Rot. Bonds5

About N-[1-[4-(difluoromethoxy)phenyl]ethyl]-2-methylpropane-2-sulfinamide

N-[1-[4-(difluoromethoxy)phenyl]ethyl]-2-methylpropane-2-sulfinamide (PubChem CID 69247038) has the molecular formula C13H19F2NO2S and a molecular weight of 291.36 g/mol. Its IUPAC name is N-[1-[4-(difluoromethoxy)phenyl]ethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[1-[4-(difluoromethoxy)phenyl]ethyl]-2-methylpropane-2-sulfinamide
PubChem CID69247038
Molecular FormulaC13H19F2NO2S
Molecular Weight291.36 g/mol
Exact Mass291.11
IUPAC NameN-[1-[4-(difluoromethoxy)phenyl]ethyl]-2-methylpropane-2-sulfinamide
SMILESCC(NS(=O)C(C)(C)C)c1ccc(OC(F)F)cc1
InChIInChI=1S/C13H19F2NO2S/c1-9(16-19(17)13(2,3)4)10-5-7-11(8-6-10)18-12(14)15/h5-9,12,16H,1-4H3
InChIKeyOPPUBJRNHAQTMC-UHFFFAOYSA-N
XLogP3.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[4-(difluoromethoxy)phenyl]ethyl]-2-methylpropane-2-sulfinamide;N-[1-(4-ethoxyphenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 161016936
N-[(1S)-1-[3-(difluoromethoxy)phenyl]ethyl]-2-methylpropane-2-sulfinamide
CID 139414582
(R)-N-[(1S)-1-[3-(difluoromethoxy)phenyl]ethyl]-2-methylpropane-2-sulfinamide
CID 139414588
(R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 118230707
(S)-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 86732639
(1S)-N-tert-butylsulfanyl-1-[4-(difluoromethoxy)phenyl]ethanamine
CID 89207629
(R)-2-methyl-N-[1-(4-naphthalen-2-yloxyphenyl)ethyl]propane-2-sulfinamide
CID 151330065
2-methyl-N-[1-(4-naphthalen-2-yloxyphenyl)ethyl]propane-2-sulfinamide
CID 154591461
tert-butyl 4-[(1S)-1-[[(R)-tert-butylsulfinyl]amino]ethyl]benzoate
CID 67396235
(R)-2-methyl-N-[(1S)-1-[4-(1-methylcyclopropyl)phenyl]ethyl]propane-2-sulfinamide
CID 90347560
(S)-2-methyl-N-[(1S)-1-(6-propan-2-yloxy-3-pyridinyl)ethyl]propane-2-sulfinamide
CID 156777027
magnesium;carbanide;(R)-N-[(1S)-1-[3-(difluoromethoxy)phenyl]ethyl]-2-methylpropane-2-sulfinamide;(R)-N-[[3-(difluoromethoxy)phenyl]methylidene]-2-methylpropane-2-sulfinamide;bromide
CID 157233975

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(difluoromethoxy)phenyl]ethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[1-[4-(difluoromethoxy)phenyl]ethyl]-2-methylpropane-2-sulfinamide (CID 69247038) is N-[1-[4-(difluoromethoxy)phenyl]ethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[1-[4-(difluoromethoxy)phenyl]ethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[1-[4-(difluoromethoxy)phenyl]ethyl]-2-methylpropane-2-sulfinamide is CC(NS(=O)C(C)(C)C)c1ccc(OC(F)F)cc1.
What is the InChIKey of N-[1-[4-(difluoromethoxy)phenyl]ethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is OPPUBJRNHAQTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO2S/c1-9(16-19(17)13(2,3)4)10-5-7-11(8-6-10)18-12(14)15/h5-9,12,16H,1-4H3.
What are the key properties of N-[1-[4-(difluoromethoxy)phenyl]ethyl]-2-methylpropane-2-sulfinamide?
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 291.36 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(difluoromethoxy)phenyl]ethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 69247038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).