2-amino-2-decylsulfanylethanol

C12H27NOS — CID 54510008

IUPAC2-amino-2-decylsulfanylethanol
SMILESCCCCCCCCCCSC(N)CO
InChIInChI=1S/C12H27NOS/c1-2-3-4-5-6-7-8-9-10-15-12(13)11-14/h12,14H,2-11,13H2,1H3
InChIKeyYILBNFUSOKECEY-UHFFFAOYSA-N
MW233.42 g/mol
LogP3.14
Rot. Bonds11

About 2-amino-2-decylsulfanylethanol

2-amino-2-decylsulfanylethanol (PubChem CID 54510008) has the molecular formula C12H27NOS and a molecular weight of 233.42 g/mol. Its IUPAC name is 2-amino-2-decylsulfanylethanol.

Molecular Properties

Compound Name2-amino-2-decylsulfanylethanol
PubChem CID54510008
Molecular FormulaC12H27NOS
Molecular Weight233.42 g/mol
Exact Mass233.18
IUPAC Name2-amino-2-decylsulfanylethanol
SMILESCCCCCCCCCCSC(N)CO
InChIInChI=1S/C12H27NOS/c1-2-3-4-5-6-7-8-9-10-15-12(13)11-14/h12,14H,2-11,13H2,1H3
InChIKeyYILBNFUSOKECEY-UHFFFAOYSA-N
XLogP3.14
TPSA46.25 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 ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-butylsulfanylpropan-1-amine
CID 22096872
2-dodecylsulfanyltetradecan-1-ol
CID 23171959
ethanol;heptane;propan-2-amine
CID 87057720
(E,2R)-2-amino-4-tridecylsulfanylbut-3-en-1-ol
CID 71576268
2-aminononadecan-1-ol
CID 87201322
(2S)-2-aminoundecan-1-ol
CID 98129192
1-(difluoromethylsulfanyl)hexane
CID 162535464
3-dodecylsulfanyl-2-methylpropan-1-ol
CID 66103592
2-decylsulfanyl-3-dodecoxypropan-1-ol
CID 57189516
methanediol;nonane
CID 159588378
ethanol;hexadecane
CID 21185421
ethanol;bis(heptane);bis(hexane)
CID 173110983

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-decylsulfanylethanol?
The IUPAC name of 2-amino-2-decylsulfanylethanol (CID 54510008) is 2-amino-2-decylsulfanylethanol.
What is the SMILES notation for 2-amino-2-decylsulfanylethanol?
The canonical SMILES for 2-amino-2-decylsulfanylethanol is CCCCCCCCCCSC(N)CO.
What is the InChIKey of 2-amino-2-decylsulfanylethanol?
The InChIKey is YILBNFUSOKECEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NOS/c1-2-3-4-5-6-7-8-9-10-15-12(13)11-14/h12,14H,2-11,13H2,1H3.
What are the key properties of 2-amino-2-decylsulfanylethanol?
2-amino-2-decylsulfanylethanol has a molecular weight of 233.42 g/mol, XLogP of 3.14, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-decylsulfanylethanol is sourced from PubChem (CID 54510008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).