10-hydroxy-8-(methylamino)-1-methylsulfanyldecan-4-one

C12H25NO2S — CID 163797325

IUPAC10-hydroxy-8-(methylamino)-1-methylsulfanyldecan-4-one
SMILESCNC(CCO)CCCC(=O)CCCSC
InChIInChI=1S/C12H25NO2S/c1-13-11(8-9-14)5-3-6-12(15)7-4-10-16-2/h11,13-14H,3-10H2,1-2H3
InChIKeyNBYPATMIJGMXRY-UHFFFAOYSA-N
MW247.40 g/mol
LogP1.84
Rot. Bonds11

About 10-hydroxy-8-(methylamino)-1-methylsulfanyldecan-4-one

10-hydroxy-8-(methylamino)-1-methylsulfanyldecan-4-one (PubChem CID 163797325) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is 10-hydroxy-8-(methylamino)-1-methylsulfanyldecan-4-one.

Molecular Properties

Compound Name10-hydroxy-8-(methylamino)-1-methylsulfanyldecan-4-one
PubChem CID163797325
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC Name10-hydroxy-8-(methylamino)-1-methylsulfanyldecan-4-one
SMILESCNC(CCO)CCCC(=O)CCCSC
InChIInChI=1S/C12H25NO2S/c1-13-11(8-9-14)5-3-6-12(15)7-4-10-16-2/h11,13-14H,3-10H2,1-2H3
InChIKeyNBYPATMIJGMXRY-UHFFFAOYSA-N
XLogP1.84
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.40
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(methylamino)heptan-1-ol
CID 13033821
3-(methylamino)nonan-1-ol
CID 65235222
1-hydroxy-8-methylnonan-4-one
CID 87402189
5-(methylamino)octanoic acid
CID 116953071
4-methoxy-3-(3-methylsulfanylpropylamino)butan-1-ol
CID 106156471
8-methyl-1-(methylamino)nonan-4-one
CID 116555639
N-[3-(methylamino)propyl]-4-methylsulfanylbutanamide
CID 119434267
3-[4-(methylamino)hexylsulfanyl]butan-1-ol
CID 106808476
N-methyl-1,3-bis(methylsulfanyl)propan-2-amine
CID 100935069
4-hydroxy-N-(3-methylsulfanylpropyl)butanamide
CID 79191399
2,16-dimethylheptadecan-6-one
CID 158111781
1-methylsulfanyltridecan-3-one
CID 105091587

Frequently Asked Questions

What is the IUPAC name of 10-hydroxy-8-(methylamino)-1-methylsulfanyldecan-4-one?
The IUPAC name of 10-hydroxy-8-(methylamino)-1-methylsulfanyldecan-4-one (CID 163797325) is 10-hydroxy-8-(methylamino)-1-methylsulfanyldecan-4-one.
What is the SMILES notation for 10-hydroxy-8-(methylamino)-1-methylsulfanyldecan-4-one?
The canonical SMILES for 10-hydroxy-8-(methylamino)-1-methylsulfanyldecan-4-one is CNC(CCO)CCCC(=O)CCCSC.
What is the InChIKey of 10-hydroxy-8-(methylamino)-1-methylsulfanyldecan-4-one?
The InChIKey is NBYPATMIJGMXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-13-11(8-9-14)5-3-6-12(15)7-4-10-16-2/h11,13-14H,3-10H2,1-2H3.
What are the key properties of 10-hydroxy-8-(methylamino)-1-methylsulfanyldecan-4-one?
10-hydroxy-8-(methylamino)-1-methylsulfanyldecan-4-one has a molecular weight of 247.40 g/mol, XLogP of 1.84, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-hydroxy-8-(methylamino)-1-methylsulfanyldecan-4-one is sourced from PubChem (CID 163797325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).