6-(3-chlorophenyl)sulfinyl-N-methylhexan-2-amine

C13H20ClNOS — CID 64660134

IUPAC6-(3-chlorophenyl)sulfinyl-N-methylhexan-2-amine
SMILESCNC(C)CCCCS(=O)c1cccc(Cl)c1
InChIInChI=1S/C13H20ClNOS/c1-11(15-2)6-3-4-9-17(16)13-8-5-7-12(14)10-13/h5,7-8,10-11,15H,3-4,6,9H2,1-2H3
InChIKeyNELDKAMNVZWPPH-UHFFFAOYSA-N
MW273.83 g/mol
LogP3.23
Rot. Bonds7

About 6-(3-chlorophenyl)sulfinyl-N-methylhexan-2-amine

6-(3-chlorophenyl)sulfinyl-N-methylhexan-2-amine (PubChem CID 64660134) has the molecular formula C13H20ClNOS and a molecular weight of 273.83 g/mol. Its IUPAC name is 6-(3-chlorophenyl)sulfinyl-N-methylhexan-2-amine.

Molecular Properties

Compound Name6-(3-chlorophenyl)sulfinyl-N-methylhexan-2-amine
PubChem CID64660134
Molecular FormulaC13H20ClNOS
Molecular Weight273.83 g/mol
Exact Mass273.10
IUPAC Name6-(3-chlorophenyl)sulfinyl-N-methylhexan-2-amine
SMILESCNC(C)CCCCS(=O)c1cccc(Cl)c1
InChIInChI=1S/C13H20ClNOS/c1-11(15-2)6-3-4-9-17(16)13-8-5-7-12(14)10-13/h5,7-8,10-11,15H,3-4,6,9H2,1-2H3
InChIKeyNELDKAMNVZWPPH-UHFFFAOYSA-N
XLogP3.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.83
LogP ≤ 53.23
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

5-(3-chlorophenyl)sulfinyl-N-propylpentan-2-amine
CID 64657988
N-methyl-5-(4-methylphenyl)sulfinylpentan-2-amine
CID 64658081
4-(2,5-dichlorophenyl)sulfinyl-N-methylbutan-2-amine
CID 64657739
2-(3-chlorophenyl)sulfinylethanamine
CID 62645966
6-[(2-chlorophenyl)methylsulfinyl]-N-methylhexan-2-amine
CID 103290309
4-(3-chlorophenyl)sulfinyl-1-phenylbutan-1-one
CID 64635675
6-(4-chlorophenyl)sulfinylhexan-2-amine
CID 64659612
1-(3-bromophenyl)sulfinyl-N-methylpropan-2-amine
CID 64658579
6-(2,5-dichlorophenyl)sulfinylhexan-2-amine
CID 64660268
propan-2-yl 2-(3-chlorophenyl)sulfinylacetate
CID 62647010
ethyl 3-(3-chlorophenyl)sulfinylpropanoate
CID 62645969
4-[3-(3-chlorophenyl)phenyl]-N-methylbutan-2-amine
CID 82540396

Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorophenyl)sulfinyl-N-methylhexan-2-amine?
The IUPAC name of 6-(3-chlorophenyl)sulfinyl-N-methylhexan-2-amine (CID 64660134) is 6-(3-chlorophenyl)sulfinyl-N-methylhexan-2-amine.
What is the SMILES notation for 6-(3-chlorophenyl)sulfinyl-N-methylhexan-2-amine?
The canonical SMILES for 6-(3-chlorophenyl)sulfinyl-N-methylhexan-2-amine is CNC(C)CCCCS(=O)c1cccc(Cl)c1.
What is the InChIKey of 6-(3-chlorophenyl)sulfinyl-N-methylhexan-2-amine?
The InChIKey is NELDKAMNVZWPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNOS/c1-11(15-2)6-3-4-9-17(16)13-8-5-7-12(14)10-13/h5,7-8,10-11,15H,3-4,6,9H2,1-2H3.
What are the key properties of 6-(3-chlorophenyl)sulfinyl-N-methylhexan-2-amine?
6-(3-chlorophenyl)sulfinyl-N-methylhexan-2-amine has a molecular weight of 273.83 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorophenyl)sulfinyl-N-methylhexan-2-amine is sourced from PubChem (CID 64660134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).