5-(2,6-dichlorophenyl)sulfinyl-2,2-dimethylpentan-1-amine

C13H19Cl2NOS — CID 115477764

IUPAC5-(2,6-dichlorophenyl)sulfinyl-2,2-dimethylpentan-1-amine
SMILESCC(C)(CN)CCCS(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C13H19Cl2NOS/c1-13(2,9-16)7-4-8-18(17)12-10(14)5-3-6-11(12)15/h3,5-6H,4,7-9,16H2,1-2H3
InChIKeyVWILOWREFMIBRH-UHFFFAOYSA-N
MW308.27 g/mol
LogP3.87
Rot. Bonds6

About 5-(2,6-dichlorophenyl)sulfinyl-2,2-dimethylpentan-1-amine

5-(2,6-dichlorophenyl)sulfinyl-2,2-dimethylpentan-1-amine (PubChem CID 115477764) has the molecular formula C13H19Cl2NOS and a molecular weight of 308.27 g/mol. Its IUPAC name is 5-(2,6-dichlorophenyl)sulfinyl-2,2-dimethylpentan-1-amine.

Molecular Properties

Compound Name5-(2,6-dichlorophenyl)sulfinyl-2,2-dimethylpentan-1-amine
PubChem CID115477764
Molecular FormulaC13H19Cl2NOS
Molecular Weight308.27 g/mol
Exact Mass307.06
IUPAC Name5-(2,6-dichlorophenyl)sulfinyl-2,2-dimethylpentan-1-amine
SMILESCC(C)(CN)CCCS(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C13H19Cl2NOS/c1-13(2,9-16)7-4-8-18(17)12-10(14)5-3-6-11(12)15/h3,5-6H,4,7-9,16H2,1-2H3
InChIKeyVWILOWREFMIBRH-UHFFFAOYSA-N
XLogP3.87
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.27
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-methoxyphenyl)sulfinyl-2,2-dimethylpentan-1-amine
CID 81329091
6-(2,6-dichlorophenyl)sulfonyl-2,2-dimethylhexan-1-amine
CID 106714756
4-(2,6-dichlorophenyl)sulfinylbutanoic acid
CID 115477555
3-(2,6-dichlorophenyl)-2,2-dimethylpropan-1-amine
CID 62739420
5-(2,6-dichlorophenyl)sulfinylpentanoic acid
CID 115477563
3-chloro-2-(3-methylsulfonylpropylsulfinyl)aniline
CID 81185705
6-(2-chlorophenyl)sulfonyl-2,2-dimethylhexan-1-amine
CID 106714731
2,2-dimethyl-4-thiophen-2-ylsulfinylbutan-1-amine
CID 81328342
3-chloro-2-(3-ethylsulfonylpropylsulfinyl)aniline
CID 81186140
6-(2,6-dichlorophenyl)sulfinyl-N-methylhexan-3-amine
CID 106808065
3-chloro-2-propylsulfinylaniline
CID 81185466
6-(3,4-difluorophenyl)sulfinyl-2,2-dimethylhexan-1-amine
CID 106714797

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dichlorophenyl)sulfinyl-2,2-dimethylpentan-1-amine?
The IUPAC name of 5-(2,6-dichlorophenyl)sulfinyl-2,2-dimethylpentan-1-amine (CID 115477764) is 5-(2,6-dichlorophenyl)sulfinyl-2,2-dimethylpentan-1-amine.
What is the SMILES notation for 5-(2,6-dichlorophenyl)sulfinyl-2,2-dimethylpentan-1-amine?
The canonical SMILES for 5-(2,6-dichlorophenyl)sulfinyl-2,2-dimethylpentan-1-amine is CC(C)(CN)CCCS(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of 5-(2,6-dichlorophenyl)sulfinyl-2,2-dimethylpentan-1-amine?
The InChIKey is VWILOWREFMIBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2NOS/c1-13(2,9-16)7-4-8-18(17)12-10(14)5-3-6-11(12)15/h3,5-6H,4,7-9,16H2,1-2H3.
What are the key properties of 5-(2,6-dichlorophenyl)sulfinyl-2,2-dimethylpentan-1-amine?
5-(2,6-dichlorophenyl)sulfinyl-2,2-dimethylpentan-1-amine has a molecular weight of 308.27 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dichlorophenyl)sulfinyl-2,2-dimethylpentan-1-amine is sourced from PubChem (CID 115477764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).