6-(2,6-dichlorophenyl)sulfinyl-N-methylhexan-3-amine

C13H19Cl2NOS — CID 106808065

IUPAC6-(2,6-dichlorophenyl)sulfinyl-N-methylhexan-3-amine
SMILESCCC(CCCS(=O)c1c(Cl)cccc1Cl)NC
InChIInChI=1S/C13H19Cl2NOS/c1-3-10(16-2)6-5-9-18(17)13-11(14)7-4-8-12(13)15/h4,7-8,10,16H,3,5-6,9H2,1-2H3
InChIKeyTWDVFZMSTFHUFC-UHFFFAOYSA-N
MW308.27 g/mol
LogP3.88
Rot. Bonds7

About 6-(2,6-dichlorophenyl)sulfinyl-N-methylhexan-3-amine

6-(2,6-dichlorophenyl)sulfinyl-N-methylhexan-3-amine (PubChem CID 106808065) has the molecular formula C13H19Cl2NOS and a molecular weight of 308.27 g/mol. Its IUPAC name is 6-(2,6-dichlorophenyl)sulfinyl-N-methylhexan-3-amine.

Molecular Properties

Compound Name6-(2,6-dichlorophenyl)sulfinyl-N-methylhexan-3-amine
PubChem CID106808065
Molecular FormulaC13H19Cl2NOS
Molecular Weight308.27 g/mol
Exact Mass307.06
IUPAC Name6-(2,6-dichlorophenyl)sulfinyl-N-methylhexan-3-amine
SMILESCCC(CCCS(=O)c1c(Cl)cccc1Cl)NC
InChIInChI=1S/C13H19Cl2NOS/c1-3-10(16-2)6-5-9-18(17)13-11(14)7-4-8-12(13)15/h4,7-8,10,16H,3,5-6,9H2,1-2H3
InChIKeyTWDVFZMSTFHUFC-UHFFFAOYSA-N
XLogP3.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.27
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-6-(2-nitrophenyl)sulfinylhexan-3-amine
CID 106807985
6-(3-chloro-2-fluorophenyl)-N-methylhexan-3-amine
CID 102862081
6-(3,4-dichlorophenyl)sulfinyl-N-ethylhexan-3-amine
CID 106808043
4-(2,6-dichlorophenyl)sulfinylbutanoic acid
CID 115477555
5-(2,6-dichlorophenyl)sulfinylpentanoic acid
CID 115477563
5-(2,6-dichlorophenyl)sulfinyl-2,2-dimethylpentan-1-amine
CID 115477764
6-(4-chlorophenyl)sulfinyl-N-propylhexan-3-amine
CID 106807888
3-chloro-2-(3-ethylsulfonylpropylsulfinyl)aniline
CID 81186140
3-chloro-2-propylsulfinylaniline
CID 81185466
1-(2-chlorophenyl)-N-methyldodecan-2-amine
CID 63414970
1-(2-chlorophenyl)-N-methylundecan-2-amine
CID 63415015
6-(3-methylphenyl)sulfinyl-N-propylhexan-3-amine
CID 106808022

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dichlorophenyl)sulfinyl-N-methylhexan-3-amine?
The IUPAC name of 6-(2,6-dichlorophenyl)sulfinyl-N-methylhexan-3-amine (CID 106808065) is 6-(2,6-dichlorophenyl)sulfinyl-N-methylhexan-3-amine.
What is the SMILES notation for 6-(2,6-dichlorophenyl)sulfinyl-N-methylhexan-3-amine?
The canonical SMILES for 6-(2,6-dichlorophenyl)sulfinyl-N-methylhexan-3-amine is CCC(CCCS(=O)c1c(Cl)cccc1Cl)NC.
What is the InChIKey of 6-(2,6-dichlorophenyl)sulfinyl-N-methylhexan-3-amine?
The InChIKey is TWDVFZMSTFHUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2NOS/c1-3-10(16-2)6-5-9-18(17)13-11(14)7-4-8-12(13)15/h4,7-8,10,16H,3,5-6,9H2,1-2H3.
What are the key properties of 6-(2,6-dichlorophenyl)sulfinyl-N-methylhexan-3-amine?
6-(2,6-dichlorophenyl)sulfinyl-N-methylhexan-3-amine has a molecular weight of 308.27 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dichlorophenyl)sulfinyl-N-methylhexan-3-amine is sourced from PubChem (CID 106808065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).