1-(2,5-difluorophenyl)sulfinyl-N-methylbutan-2-amine

C11H15F2NOS — CID 64652274

IUPAC1-(2,5-difluorophenyl)sulfinyl-N-methylbutan-2-amine
SMILESCCC(CS(=O)c1cc(F)ccc1F)NC
InChIInChI=1S/C11H15F2NOS/c1-3-9(14-2)7-16(15)11-6-8(12)4-5-10(11)13/h4-6,9,14H,3,7H2,1-2H3
InChIKeyHOOZETCGIMLODV-UHFFFAOYSA-N
MW247.31 g/mol
LogP2.07
Rot. Bonds5

About 1-(2,5-difluorophenyl)sulfinyl-N-methylbutan-2-amine

1-(2,5-difluorophenyl)sulfinyl-N-methylbutan-2-amine (PubChem CID 64652274) has the molecular formula C11H15F2NOS and a molecular weight of 247.31 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)sulfinyl-N-methylbutan-2-amine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)sulfinyl-N-methylbutan-2-amine
PubChem CID64652274
Molecular FormulaC11H15F2NOS
Molecular Weight247.31 g/mol
Exact Mass247.08
IUPAC Name1-(2,5-difluorophenyl)sulfinyl-N-methylbutan-2-amine
SMILESCCC(CS(=O)c1cc(F)ccc1F)NC
InChIInChI=1S/C11H15F2NOS/c1-3-9(14-2)7-16(15)11-6-8(12)4-5-10(11)13/h4-6,9,14H,3,7H2,1-2H3
InChIKeyHOOZETCGIMLODV-UHFFFAOYSA-N
XLogP2.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-difluorophenyl)sulfinylpentan-2-amine
CID 64651062
1-(2,5-dimethylphenyl)sulfinyl-N-methylbutan-2-amine
CID 64659088
N-methyl-1-(2-methylphenyl)sulfinylbutan-2-amine
CID 64657190
3-(2,5-difluorophenyl)sulfinyl-2-ethoxypropan-1-amine
CID 81328146
1-cyclopentyl-2-(2,5-difluorophenyl)sulfinyl-N-ethylethanamine
CID 104754680
2-(2,5-difluorophenyl)sulfinylacetaldehyde
CID 66223483
1-(2,5-difluorophenyl)sulfinyl-3-methylbutan-2-one
CID 79392957
1-(2-fluorophenyl)sulfinyl-N-propylbutan-2-amine
CID 64657563
1-(2,5-difluorophenyl)sulfinylpentan-2-one
CID 64638329
1-cyclohexyl-2-(2,5-difluorophenyl)sulfinylethanamine
CID 104754679
1-(3-bromophenyl)sulfinyl-N-methylbutan-2-amine
CID 64657409
2-(2,5-difluorophenyl)sulfinyl-1-(4-ethylphenyl)ethanone
CID 64640534

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)sulfinyl-N-methylbutan-2-amine?
The IUPAC name of 1-(2,5-difluorophenyl)sulfinyl-N-methylbutan-2-amine (CID 64652274) is 1-(2,5-difluorophenyl)sulfinyl-N-methylbutan-2-amine.
What is the SMILES notation for 1-(2,5-difluorophenyl)sulfinyl-N-methylbutan-2-amine?
The canonical SMILES for 1-(2,5-difluorophenyl)sulfinyl-N-methylbutan-2-amine is CCC(CS(=O)c1cc(F)ccc1F)NC.
What is the InChIKey of 1-(2,5-difluorophenyl)sulfinyl-N-methylbutan-2-amine?
The InChIKey is HOOZETCGIMLODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NOS/c1-3-9(14-2)7-16(15)11-6-8(12)4-5-10(11)13/h4-6,9,14H,3,7H2,1-2H3.
What are the key properties of 1-(2,5-difluorophenyl)sulfinyl-N-methylbutan-2-amine?
1-(2,5-difluorophenyl)sulfinyl-N-methylbutan-2-amine has a molecular weight of 247.31 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)sulfinyl-N-methylbutan-2-amine is sourced from PubChem (CID 64652274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).