4-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2,5-dimethylhexane-2-sulfinamide

C18H28FNO2S — CID 167358601

IUPAC4-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2,5-dimethylhexane-2-sulfinamide
SMILESCC(C)C(CC(C)(C)S(N)=O)c1ccc(F)c(OCC2CC2)c1
InChIInChI=1S/C18H28FNO2S/c1-12(2)15(10-18(3,4)23(20)21)14-7-8-16(19)17(9-14)22-11-13-5-6-13/h7-9,12-13,15H,5-6,10-11,20H2,1-4H3
InChIKeyWKGUVFUAQTZYJL-UHFFFAOYSA-N
MW341.49 g/mol
LogP4.15
Rot. Bonds8

About 4-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2,5-dimethylhexane-2-sulfinamide

4-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2,5-dimethylhexane-2-sulfinamide (PubChem CID 167358601) has the molecular formula C18H28FNO2S and a molecular weight of 341.49 g/mol. Its IUPAC name is 4-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2,5-dimethylhexane-2-sulfinamide.

Molecular Properties

Compound Name4-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2,5-dimethylhexane-2-sulfinamide
PubChem CID167358601
Molecular FormulaC18H28FNO2S
Molecular Weight341.49 g/mol
Exact Mass341.18
IUPAC Name4-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2,5-dimethylhexane-2-sulfinamide
SMILESCC(C)C(CC(C)(C)S(N)=O)c1ccc(F)c(OCC2CC2)c1
InChIInChI=1S/C18H28FNO2S/c1-12(2)15(10-18(3,4)23(20)21)14-7-8-16(19)17(9-14)22-11-13-5-6-13/h7-9,12-13,15H,5-6,10-11,20H2,1-4H3
InChIKeyWKGUVFUAQTZYJL-UHFFFAOYSA-N
XLogP4.15
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.49
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-N,2-dimethylpropan-1-amine
CID 142399901
N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-N-methylformamide
CID 142360430
1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-N-methylethanamine
CID 142360265
N'-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2,2-dimethylpropyl]hexane-1,6-diamine
CID 142361235
(1S)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethane-1,2-diol
CID 70910103
[4-[[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylmethyl]phenyl]methanamine
CID 158673497
2-(cyclopropylmethoxy)-4-[1-(2-ethylcyclohexyl)ethyl]-1-fluorobenzene
CID 134559559
5-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]hydrazinyl]pentan-1-amine
CID 142361186
5-[5-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-3-methylbutyl]sulfonylpentyl]-1,3-diazinane-2,4,6-trione
CID 159496956
ethyl 2-[[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-methylsulfamoyl]amino]acetate
CID 134553660
N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-3-(2,2-dimethylpropoxy)propane-1-sulfonamide
CID 146353456
N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]but-3-ene-1-sulfonamide
CID 135207313

Frequently Asked Questions

What is the IUPAC name of 4-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2,5-dimethylhexane-2-sulfinamide?
The IUPAC name of 4-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2,5-dimethylhexane-2-sulfinamide (CID 167358601) is 4-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2,5-dimethylhexane-2-sulfinamide.
What is the SMILES notation for 4-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2,5-dimethylhexane-2-sulfinamide?
The canonical SMILES for 4-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2,5-dimethylhexane-2-sulfinamide is CC(C)C(CC(C)(C)S(N)=O)c1ccc(F)c(OCC2CC2)c1.
What is the InChIKey of 4-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2,5-dimethylhexane-2-sulfinamide?
The InChIKey is WKGUVFUAQTZYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FNO2S/c1-12(2)15(10-18(3,4)23(20)21)14-7-8-16(19)17(9-14)22-11-13-5-6-13/h7-9,12-13,15H,5-6,10-11,20H2,1-4H3.
What are the key properties of 4-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2,5-dimethylhexane-2-sulfinamide?
4-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2,5-dimethylhexane-2-sulfinamide has a molecular weight of 341.49 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2,5-dimethylhexane-2-sulfinamide is sourced from PubChem (CID 167358601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).