6-(2-ethylsulfanylethylamino)hexan-1-ol

C10H23NOS — CID 104668755

IUPAC6-(2-ethylsulfanylethylamino)hexan-1-ol
SMILESCCSCCNCCCCCCO
InChIInChI=1S/C10H23NOS/c1-2-13-10-8-11-7-5-3-4-6-9-12/h11-12H,2-10H2,1H3
InChIKeyZJUSSMXCAJJHBE-UHFFFAOYSA-N
MW205.37 g/mol
LogP1.88
Rot. Bonds10

About 6-(2-ethylsulfanylethylamino)hexan-1-ol

6-(2-ethylsulfanylethylamino)hexan-1-ol (PubChem CID 104668755) has the molecular formula C10H23NOS and a molecular weight of 205.37 g/mol. Its IUPAC name is 6-(2-ethylsulfanylethylamino)hexan-1-ol.

Molecular Properties

Compound Name6-(2-ethylsulfanylethylamino)hexan-1-ol
PubChem CID104668755
Molecular FormulaC10H23NOS
Molecular Weight205.37 g/mol
Exact Mass205.15
IUPAC Name6-(2-ethylsulfanylethylamino)hexan-1-ol
SMILESCCSCCNCCCCCCO
InChIInChI=1S/C10H23NOS/c1-2-13-10-8-11-7-5-3-4-6-9-12/h11-12H,2-10H2,1H3
InChIKeyZJUSSMXCAJJHBE-UHFFFAOYSA-N
XLogP1.88
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.37
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethylsulfanylethyl)hexan-1-amine
CID 62578167
3-[2-(hexylamino)ethylsulfanyl]propan-1-ol
CID 106309422
12-(12-hydroxydodecylamino)dodecan-1-ol
CID 18618691
4-(2-methylsulfanylethylamino)butan-1-ol
CID 63964871
8-(undecylamino)octan-1-ol
CID 139305047
chromium(3+);2-ethylsulfanyl-N-(2-ethylsulfanylethyl)ethanamine;trichloride
CID 139119576
4-(octylamino)butan-1-ol;hydrochloride
CID 71413305
N'-(2-ethylsulfanylethyl)ethane-1,2-diamine;dihydrochloride
CID 45261849
4-[3-[4-[3-(4-hydroxybutylamino)propylamino]butylamino]propylamino]butan-1-ol
CID 178169165
6-[3-[6-[3-(methylamino)propylamino]hexylamino]propylamino]hexan-1-ol
CID 53441021
3-[2-(3-ethoxypropylamino)ethylsulfanyl]propan-1-ol
CID 106310428
4-(6-hydroxyhexylamino)-2,2-dimethylbutanenitrile
CID 107851566

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethylsulfanylethylamino)hexan-1-ol?
The IUPAC name of 6-(2-ethylsulfanylethylamino)hexan-1-ol (CID 104668755) is 6-(2-ethylsulfanylethylamino)hexan-1-ol.
What is the SMILES notation for 6-(2-ethylsulfanylethylamino)hexan-1-ol?
The canonical SMILES for 6-(2-ethylsulfanylethylamino)hexan-1-ol is CCSCCNCCCCCCO.
What is the InChIKey of 6-(2-ethylsulfanylethylamino)hexan-1-ol?
The InChIKey is ZJUSSMXCAJJHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NOS/c1-2-13-10-8-11-7-5-3-4-6-9-12/h11-12H,2-10H2,1H3.
What are the key properties of 6-(2-ethylsulfanylethylamino)hexan-1-ol?
6-(2-ethylsulfanylethylamino)hexan-1-ol has a molecular weight of 205.37 g/mol, XLogP of 1.88, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethylsulfanylethylamino)hexan-1-ol is sourced from PubChem (CID 104668755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).