6-[(2-chlorophenyl)methylsulfinyl]-N-methylhexan-2-amine

C14H22ClNOS — CID 103290309

IUPAC6-[(2-chlorophenyl)methylsulfinyl]-N-methylhexan-2-amine
SMILESCNC(C)CCCCS(=O)Cc1ccccc1Cl
InChIInChI=1S/C14H22ClNOS/c1-12(16-2)7-5-6-10-18(17)11-13-8-3-4-9-14(13)15/h3-4,8-9,12,16H,5-7,10-11H2,1-2H3
InChIKeyUHBCOCFGTGQFBF-UHFFFAOYSA-N
MW287.86 g/mol
LogP3.37
Rot. Bonds8

About 6-[(2-chlorophenyl)methylsulfinyl]-N-methylhexan-2-amine

6-[(2-chlorophenyl)methylsulfinyl]-N-methylhexan-2-amine (PubChem CID 103290309) has the molecular formula C14H22ClNOS and a molecular weight of 287.86 g/mol. Its IUPAC name is 6-[(2-chlorophenyl)methylsulfinyl]-N-methylhexan-2-amine.

Molecular Properties

Compound Name6-[(2-chlorophenyl)methylsulfinyl]-N-methylhexan-2-amine
PubChem CID103290309
Molecular FormulaC14H22ClNOS
Molecular Weight287.86 g/mol
Exact Mass287.11
IUPAC Name6-[(2-chlorophenyl)methylsulfinyl]-N-methylhexan-2-amine
SMILESCNC(C)CCCCS(=O)Cc1ccccc1Cl
InChIInChI=1S/C14H22ClNOS/c1-12(16-2)7-5-6-10-18(17)11-13-8-3-4-9-14(13)15/h3-4,8-9,12,16H,5-7,10-11H2,1-2H3
InChIKeyUHBCOCFGTGQFBF-UHFFFAOYSA-N
XLogP3.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.86
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(2-chlorophenyl)methylsulfinyl]-N-propan-2-ylpropan-1-amine
CID 103290393
4-[(2-chlorophenyl)methylsulfinyl]butan-1-amine
CID 103291326
6-[(2-chlorophenyl)methylsulfinyl]hexan-3-one
CID 106808641
6-(3-chlorophenyl)sulfinyl-N-methylhexan-2-amine
CID 64660134
N-[(2-chlorophenyl)methyl]nonan-2-amine
CID 43129766
2-[3-[(2-chlorophenyl)methylsulfinyl]propoxy]aniline
CID 103289261
5-(2-chlorophenyl)sulfanyl-N-methylpentan-2-amine
CID 64622059
4-(2,3-dichlorophenyl)-N-methylbutan-2-amine
CID 64503767
2-acetamido-3-[(2-chlorophenyl)methylsulfinyl]propanoic acid
CID 103289187
1-[(2-chlorophenyl)methylsulfinyl]-3-(2-methylpropylamino)propan-2-ol
CID 103291640
2-[(2-chlorophenyl)methylsulfinyl]propanenitrile
CID 103291281
1-(2-chlorophenyl)-N-(6-methylheptan-2-yl)methanesulfonamide
CID 3647642

Frequently Asked Questions

What is the IUPAC name of 6-[(2-chlorophenyl)methylsulfinyl]-N-methylhexan-2-amine?
The IUPAC name of 6-[(2-chlorophenyl)methylsulfinyl]-N-methylhexan-2-amine (CID 103290309) is 6-[(2-chlorophenyl)methylsulfinyl]-N-methylhexan-2-amine.
What is the SMILES notation for 6-[(2-chlorophenyl)methylsulfinyl]-N-methylhexan-2-amine?
The canonical SMILES for 6-[(2-chlorophenyl)methylsulfinyl]-N-methylhexan-2-amine is CNC(C)CCCCS(=O)Cc1ccccc1Cl.
What is the InChIKey of 6-[(2-chlorophenyl)methylsulfinyl]-N-methylhexan-2-amine?
The InChIKey is UHBCOCFGTGQFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNOS/c1-12(16-2)7-5-6-10-18(17)11-13-8-3-4-9-14(13)15/h3-4,8-9,12,16H,5-7,10-11H2,1-2H3.
What are the key properties of 6-[(2-chlorophenyl)methylsulfinyl]-N-methylhexan-2-amine?
6-[(2-chlorophenyl)methylsulfinyl]-N-methylhexan-2-amine has a molecular weight of 287.86 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chlorophenyl)methylsulfinyl]-N-methylhexan-2-amine is sourced from PubChem (CID 103290309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).