6-(2,4-dimethylphenyl)sulfanyl-N-methylhexan-2-amine

C15H25NS — CID 64620891

IUPAC6-(2,4-dimethylphenyl)sulfanyl-N-methylhexan-2-amine
SMILESCNC(C)CCCCSc1ccc(C)cc1C
InChIInChI=1S/C15H25NS/c1-12-8-9-15(13(2)11-12)17-10-6-5-7-14(3)16-4/h8-9,11,14,16H,5-7,10H2,1-4H3
InChIKeyNJLYFOMNWLFUDT-UHFFFAOYSA-N
MW251.44 g/mol
LogP4.17
Rot. Bonds7

About 6-(2,4-dimethylphenyl)sulfanyl-N-methylhexan-2-amine

6-(2,4-dimethylphenyl)sulfanyl-N-methylhexan-2-amine (PubChem CID 64620891) has the molecular formula C15H25NS and a molecular weight of 251.44 g/mol. Its IUPAC name is 6-(2,4-dimethylphenyl)sulfanyl-N-methylhexan-2-amine.

Molecular Properties

Compound Name6-(2,4-dimethylphenyl)sulfanyl-N-methylhexan-2-amine
PubChem CID64620891
Molecular FormulaC15H25NS
Molecular Weight251.44 g/mol
Exact Mass251.17
IUPAC Name6-(2,4-dimethylphenyl)sulfanyl-N-methylhexan-2-amine
SMILESCNC(C)CCCCSc1ccc(C)cc1C
InChIInChI=1S/C15H25NS/c1-12-8-9-15(13(2)11-12)17-10-6-5-7-14(3)16-4/h8-9,11,14,16H,5-7,10H2,1-4H3
InChIKeyNJLYFOMNWLFUDT-UHFFFAOYSA-N
XLogP4.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.44
LogP ≤ 54.17
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

6-(2,4-dimethylphenyl)sulfanylhexan-2-amine
CID 64620510
3-(2,4-dimethylphenyl)sulfanyl-N-methylpropan-1-amine
CID 61385958
4-(2,4-dimethylphenyl)sulfanyl-2-(methylamino)butanoic acid
CID 63034836
5-(2,5-dichlorophenyl)sulfanyl-N-methylpentan-2-amine
CID 64620648
5-(2-chlorophenyl)sulfanyl-N-methylpentan-2-amine
CID 64622059
N-methyl-6-naphthalen-2-ylsulfanylhexan-2-amine
CID 64648285
3-methyl-4-(4-methylpentylsulfanyl)aniline
CID 83158770
1-(3-isocyanatopropylsulfanyl)-2,4-dimethylbenzene
CID 54053146
3-(2,4-dimethylphenyl)sulfanyl-2-(methylamino)propan-1-ol
CID 64807421
N-[2-(2,4-dimethylphenyl)sulfanylethyl]-2,2,2-trifluoroethanamine
CID 62583912
6-(2,4-dimethylphenyl)sulfanyl-2-methyl-2-(propylamino)hexan-1-ol
CID 64806590
6-(2,4-dimethylphenyl)sulfanyl-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106712686

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dimethylphenyl)sulfanyl-N-methylhexan-2-amine?
The IUPAC name of 6-(2,4-dimethylphenyl)sulfanyl-N-methylhexan-2-amine (CID 64620891) is 6-(2,4-dimethylphenyl)sulfanyl-N-methylhexan-2-amine.
What is the SMILES notation for 6-(2,4-dimethylphenyl)sulfanyl-N-methylhexan-2-amine?
The canonical SMILES for 6-(2,4-dimethylphenyl)sulfanyl-N-methylhexan-2-amine is CNC(C)CCCCSc1ccc(C)cc1C.
What is the InChIKey of 6-(2,4-dimethylphenyl)sulfanyl-N-methylhexan-2-amine?
The InChIKey is NJLYFOMNWLFUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NS/c1-12-8-9-15(13(2)11-12)17-10-6-5-7-14(3)16-4/h8-9,11,14,16H,5-7,10H2,1-4H3.
What are the key properties of 6-(2,4-dimethylphenyl)sulfanyl-N-methylhexan-2-amine?
6-(2,4-dimethylphenyl)sulfanyl-N-methylhexan-2-amine has a molecular weight of 251.44 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dimethylphenyl)sulfanyl-N-methylhexan-2-amine is sourced from PubChem (CID 64620891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).