2-[methyl(9-sulfanylnonyl)amino]ethanol

C12H27NOS — CID 105344075

IUPAC2-[methyl(9-sulfanylnonyl)amino]ethanol
SMILESCN(CCO)CCCCCCCCCS
InChIInChI=1S/C12H27NOS/c1-13(10-11-14)9-7-5-3-2-4-6-8-12-15/h14-15H,2-12H2,1H3
InChIKeyIVOKEIHCYHEWLC-UHFFFAOYSA-N
MW233.42 g/mol
LogP2.57
Rot. Bonds11

About 2-[methyl(9-sulfanylnonyl)amino]ethanol

2-[methyl(9-sulfanylnonyl)amino]ethanol (PubChem CID 105344075) has the molecular formula C12H27NOS and a molecular weight of 233.42 g/mol. Its IUPAC name is 2-[methyl(9-sulfanylnonyl)amino]ethanol.

Molecular Properties

Compound Name2-[methyl(9-sulfanylnonyl)amino]ethanol
PubChem CID105344075
Molecular FormulaC12H27NOS
Molecular Weight233.42 g/mol
Exact Mass233.18
IUPAC Name2-[methyl(9-sulfanylnonyl)amino]ethanol
SMILESCN(CCO)CCCCCCCCCS
InChIInChI=1S/C12H27NOS/c1-13(10-11-14)9-7-5-3-2-4-6-8-12-15/h14-15H,2-12H2,1H3
InChIKeyIVOKEIHCYHEWLC-UHFFFAOYSA-N
XLogP2.57
TPSA23.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.42
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

5-[methyl(6-sulfanylhexyl)amino]pentan-1-ol
CID 107207379
9-[butyl(methyl)amino]nonane-1-thiol
CID 105344024
8-[6-hydroxyhexyl(methyl)amino]octan-1-ol
CID 19982345
2-[methyl(undecyl)amino]ethanol;hydrochloride
CID 174969696
2-[heptadecyl(methyl)amino]ethanol;hydrochloride
CID 175607509
2-[2-[hexyl(methyl)amino]ethyl-methylamino]ethanol;dihydrochloride
CID 167715204
3-[hexyl(methyl)amino]propane-1-thiol
CID 23362422
2-[4-aminobutyl(methyl)amino]ethanol
CID 12647849
ethane;2-[2-hydroxyethyl(methyl)amino]ethanol
CID 169191994
8-[2-hydroxyethyl(methyl)amino]octanoic acid
CID 170273809
3-[methyl(9-sulfanylnonyl)amino]propanenitrile
CID 105343994
2-[2-hydroxyethyl(methyl)amino]ethanol;propane
CID 142839761

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(9-sulfanylnonyl)amino]ethanol?
The IUPAC name of 2-[methyl(9-sulfanylnonyl)amino]ethanol (CID 105344075) is 2-[methyl(9-sulfanylnonyl)amino]ethanol.
What is the SMILES notation for 2-[methyl(9-sulfanylnonyl)amino]ethanol?
The canonical SMILES for 2-[methyl(9-sulfanylnonyl)amino]ethanol is CN(CCO)CCCCCCCCCS.
What is the InChIKey of 2-[methyl(9-sulfanylnonyl)amino]ethanol?
The InChIKey is IVOKEIHCYHEWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NOS/c1-13(10-11-14)9-7-5-3-2-4-6-8-12-15/h14-15H,2-12H2,1H3.
What are the key properties of 2-[methyl(9-sulfanylnonyl)amino]ethanol?
2-[methyl(9-sulfanylnonyl)amino]ethanol has a molecular weight of 233.42 g/mol, XLogP of 2.57, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(9-sulfanylnonyl)amino]ethanol is sourced from PubChem (CID 105344075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).