1-(2,6-dichlorophenyl)sulfinyl-3-methylbutan-2-amine

C11H15Cl2NOS — CID 115477642

IUPAC1-(2,6-dichlorophenyl)sulfinyl-3-methylbutan-2-amine
SMILESCC(C)C(N)CS(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C11H15Cl2NOS/c1-7(2)10(14)6-16(15)11-8(12)4-3-5-9(11)13/h3-5,7,10H,6,14H2,1-2H3
InChIKeyBBLYOZVWHNRIHW-UHFFFAOYSA-N
MW280.22 g/mol
LogP3.08
Rot. Bonds4

About 1-(2,6-dichlorophenyl)sulfinyl-3-methylbutan-2-amine

1-(2,6-dichlorophenyl)sulfinyl-3-methylbutan-2-amine (PubChem CID 115477642) has the molecular formula C11H15Cl2NOS and a molecular weight of 280.22 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)sulfinyl-3-methylbutan-2-amine.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)sulfinyl-3-methylbutan-2-amine
PubChem CID115477642
Molecular FormulaC11H15Cl2NOS
Molecular Weight280.22 g/mol
Exact Mass279.03
IUPAC Name1-(2,6-dichlorophenyl)sulfinyl-3-methylbutan-2-amine
SMILESCC(C)C(N)CS(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C11H15Cl2NOS/c1-7(2)10(14)6-16(15)11-8(12)4-3-5-9(11)13/h3-5,7,10H,6,14H2,1-2H3
InChIKeyBBLYOZVWHNRIHW-UHFFFAOYSA-N
XLogP3.08
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.22
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-2-(2-methylpropylsulfinyl)aniline
CID 81184949
3-(2,6-dichlorophenyl)sulfinyl-2-ethoxypropan-1-amine
CID 113318192
1-(2,6-dichlorophenyl)sulfinyl-3,3-dimethyl-N-propylbutan-2-amine
CID 115477659
2-[(2,6-dichlorophenyl)sulfinylmethyl]-3,3,3-trifluoropropan-1-amine
CID 103372597
methyl 2-acetamido-3-(2,6-dichlorophenyl)sulfinylpropanoate
CID 115477541
1,3-dichloro-2-[(S)-methylsulfinyl]benzene
CID 95212287
3-(2,6-dichlorophenyl)sulfinyl-2-phenylpropanenitrile
CID 115477752
3-chloro-2-(2-ethylhexylsulfinyl)aniline
CID 81185827
2-(2-amino-3-methylbutyl)-3-chlorophenol
CID 115347401
3-chloro-2-propylsulfinylaniline
CID 81185466
1-(3-chloro-2-fluorophenyl)-3-methylbutan-2-amine
CID 82805455
3-chloro-2-(methoxymethylsulfinyl)aniline
CID 81184118

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)sulfinyl-3-methylbutan-2-amine?
The IUPAC name of 1-(2,6-dichlorophenyl)sulfinyl-3-methylbutan-2-amine (CID 115477642) is 1-(2,6-dichlorophenyl)sulfinyl-3-methylbutan-2-amine.
What is the SMILES notation for 1-(2,6-dichlorophenyl)sulfinyl-3-methylbutan-2-amine?
The canonical SMILES for 1-(2,6-dichlorophenyl)sulfinyl-3-methylbutan-2-amine is CC(C)C(N)CS(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of 1-(2,6-dichlorophenyl)sulfinyl-3-methylbutan-2-amine?
The InChIKey is BBLYOZVWHNRIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NOS/c1-7(2)10(14)6-16(15)11-8(12)4-3-5-9(11)13/h3-5,7,10H,6,14H2,1-2H3.
What are the key properties of 1-(2,6-dichlorophenyl)sulfinyl-3-methylbutan-2-amine?
1-(2,6-dichlorophenyl)sulfinyl-3-methylbutan-2-amine has a molecular weight of 280.22 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)sulfinyl-3-methylbutan-2-amine is sourced from PubChem (CID 115477642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).