2-[5-(ethylamino)hexylsulfanyl]ethanol

C10H23NOS — CID 64612518

IUPAC2-[5-(ethylamino)hexylsulfanyl]ethanol
SMILESCCNC(C)CCCCSCCO
InChIInChI=1S/C10H23NOS/c1-3-11-10(2)6-4-5-8-13-9-7-12/h10-12H,3-9H2,1-2H3
InChIKeyVMRRVHXMJBQGSH-UHFFFAOYSA-N
MW205.37 g/mol
LogP1.88
Rot. Bonds9

About 2-[5-(ethylamino)hexylsulfanyl]ethanol

2-[5-(ethylamino)hexylsulfanyl]ethanol (PubChem CID 64612518) has the molecular formula C10H23NOS and a molecular weight of 205.37 g/mol. Its IUPAC name is 2-[5-(ethylamino)hexylsulfanyl]ethanol.

Molecular Properties

Compound Name2-[5-(ethylamino)hexylsulfanyl]ethanol
PubChem CID64612518
Molecular FormulaC10H23NOS
Molecular Weight205.37 g/mol
Exact Mass205.15
IUPAC Name2-[5-(ethylamino)hexylsulfanyl]ethanol
SMILESCCNC(C)CCCCSCCO
InChIInChI=1S/C10H23NOS/c1-3-11-10(2)6-4-5-8-13-9-7-12/h10-12H,3-9H2,1-2H3
InChIKeyVMRRVHXMJBQGSH-UHFFFAOYSA-N
XLogP1.88
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
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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Frequently Asked Questions

What is the IUPAC name of 2-[5-(ethylamino)hexylsulfanyl]ethanol?
The IUPAC name of 2-[5-(ethylamino)hexylsulfanyl]ethanol (CID 64612518) is 2-[5-(ethylamino)hexylsulfanyl]ethanol.
What is the SMILES notation for 2-[5-(ethylamino)hexylsulfanyl]ethanol?
The canonical SMILES for 2-[5-(ethylamino)hexylsulfanyl]ethanol is CCNC(C)CCCCSCCO.
What is the InChIKey of 2-[5-(ethylamino)hexylsulfanyl]ethanol?
The InChIKey is VMRRVHXMJBQGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NOS/c1-3-11-10(2)6-4-5-8-13-9-7-12/h10-12H,3-9H2,1-2H3.
What are the key properties of 2-[5-(ethylamino)hexylsulfanyl]ethanol?
2-[5-(ethylamino)hexylsulfanyl]ethanol has a molecular weight of 205.37 g/mol, XLogP of 1.88, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(ethylamino)hexylsulfanyl]ethanol is sourced from PubChem (CID 64612518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).