N-ethyl-3-(3-fluoro-4-methylsulfonylphenyl)-2-methylcyclobutan-1-amine

C14H20FNO2S — CID 81417899

IUPACN-ethyl-3-(3-fluoro-4-methylsulfonylphenyl)-2-methylcyclobutan-1-amine
SMILESCCNC1CC(c2ccc(S(C)(=O)=O)c(F)c2)C1C
InChIInChI=1S/C14H20FNO2S/c1-4-16-13-8-11(9(13)2)10-5-6-14(12(15)7-10)19(3,17)18/h5-7,9,11,13,16H,4,8H2,1-3H3
InChIKeyNTEUPSLUJDFYPT-UHFFFAOYSA-N
MW285.38 g/mol
LogP2.33
Rot. Bonds4

About N-ethyl-3-(3-fluoro-4-methylsulfonylphenyl)-2-methylcyclobutan-1-amine

N-ethyl-3-(3-fluoro-4-methylsulfonylphenyl)-2-methylcyclobutan-1-amine (PubChem CID 81417899) has the molecular formula C14H20FNO2S and a molecular weight of 285.38 g/mol. Its IUPAC name is N-ethyl-3-(3-fluoro-4-methylsulfonylphenyl)-2-methylcyclobutan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(3-fluoro-4-methylsulfonylphenyl)-2-methylcyclobutan-1-amine
PubChem CID81417899
Molecular FormulaC14H20FNO2S
Molecular Weight285.38 g/mol
Exact Mass285.12
IUPAC NameN-ethyl-3-(3-fluoro-4-methylsulfonylphenyl)-2-methylcyclobutan-1-amine
SMILESCCNC1CC(c2ccc(S(C)(=O)=O)c(F)c2)C1C
InChIInChI=1S/C14H20FNO2S/c1-4-16-13-8-11(9(13)2)10-5-6-14(12(15)7-10)19(3,17)18/h5-7,9,11,13,16H,4,8H2,1-3H3
InChIKeyNTEUPSLUJDFYPT-UHFFFAOYSA-N
XLogP2.33
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dimethylphenyl)-N-ethyl-2-methylcyclobutan-1-amine
CID 81417795
N,2-diethyl-3-(3-methoxy-4-methylsulfonylphenyl)cyclobutan-1-amine
CID 81416937
N-ethyl-3-(4-ethylphenyl)-2-methylcyclobutan-1-amine
CID 81417273
N-ethyl-3-(9H-fluoren-2-yl)-2-methylcyclobutan-1-amine
CID 81417064
N,2-diethyl-3-(4-fluoro-3-methylphenyl)cyclobutan-1-amine
CID 81417663
3-(4-fluoro-3-methylphenyl)-N,2-dimethylcyclobutan-1-amine
CID 81418202
4-[(1S,2R)-2-(dimethylsulfamoylamino)cyclopropyl]-1,2-difluorobenzene
CID 118607729
2,4-difluoro-1-methylsulfonylbenzene
CID 2758336
3-(4-chlorophenyl)-N-ethyl-2-methylcyclopentan-1-amine
CID 64908122
N,2-diethyl-3-(4-fluorophenyl)cyclobutan-1-amine
CID 81416943
1-(2,4-difluorophenyl)sulfonyl-N-ethyl-3-methylpiperidin-4-amine
CID 114498922
2,4-difluoro-1-methylsulfonylbenzene;titanium
CID 174383433

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(3-fluoro-4-methylsulfonylphenyl)-2-methylcyclobutan-1-amine?
The IUPAC name of N-ethyl-3-(3-fluoro-4-methylsulfonylphenyl)-2-methylcyclobutan-1-amine (CID 81417899) is N-ethyl-3-(3-fluoro-4-methylsulfonylphenyl)-2-methylcyclobutan-1-amine.
What is the SMILES notation for N-ethyl-3-(3-fluoro-4-methylsulfonylphenyl)-2-methylcyclobutan-1-amine?
The canonical SMILES for N-ethyl-3-(3-fluoro-4-methylsulfonylphenyl)-2-methylcyclobutan-1-amine is CCNC1CC(c2ccc(S(C)(=O)=O)c(F)c2)C1C.
What is the InChIKey of N-ethyl-3-(3-fluoro-4-methylsulfonylphenyl)-2-methylcyclobutan-1-amine?
The InChIKey is NTEUPSLUJDFYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2S/c1-4-16-13-8-11(9(13)2)10-5-6-14(12(15)7-10)19(3,17)18/h5-7,9,11,13,16H,4,8H2,1-3H3.
What are the key properties of N-ethyl-3-(3-fluoro-4-methylsulfonylphenyl)-2-methylcyclobutan-1-amine?
N-ethyl-3-(3-fluoro-4-methylsulfonylphenyl)-2-methylcyclobutan-1-amine has a molecular weight of 285.38 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(3-fluoro-4-methylsulfonylphenyl)-2-methylcyclobutan-1-amine is sourced from PubChem (CID 81417899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).