2-[2-[2-[ethyl-di(propan-2-yl)-λ4-sulfanyl]propan-2-yloxy]ethylamino]ethanol

C15H35NO2S — CID 129232051

IUPAC2-[2-[2-[ethyl-di(propan-2-yl)-λ4-sulfanyl]propan-2-yloxy]ethylamino]ethanol
SMILESCCS(C(C)C)(C(C)C)C(C)(C)OCCNCCO
InChIInChI=1S/C15H35NO2S/c1-8-19(13(2)3,14(4)5)15(6,7)18-12-10-16-9-11-17/h13-14,16-17H,8-12H2,1-7H3
InChIKeyDVIMWKCCSCYWEE-UHFFFAOYSA-N
MW293.52 g/mol
LogP2.96
Rot. Bonds10

About 2-[2-[2-[ethyl-di(propan-2-yl)-λ4-sulfanyl]propan-2-yloxy]ethylamino]ethanol

2-[2-[2-[ethyl-di(propan-2-yl)-λ4-sulfanyl]propan-2-yloxy]ethylamino]ethanol (PubChem CID 129232051) has the molecular formula C15H35NO2S and a molecular weight of 293.52 g/mol. Its IUPAC name is 2-[2-[2-[ethyl-di(propan-2-yl)-λ4-sulfanyl]propan-2-yloxy]ethylamino]ethanol.

Molecular Properties

Compound Name2-[2-[2-[ethyl-di(propan-2-yl)-λ4-sulfanyl]propan-2-yloxy]ethylamino]ethanol
PubChem CID129232051
Molecular FormulaC15H35NO2S
Molecular Weight293.52 g/mol
Exact Mass293.24
IUPAC Name2-[2-[2-[ethyl-di(propan-2-yl)-λ4-sulfanyl]propan-2-yloxy]ethylamino]ethanol
SMILESCCS(C(C)C)(C(C)C)C(C)(C)OCCNCCO
InChIInChI=1S/C15H35NO2S/c1-8-19(13(2)3,14(4)5)15(6,7)18-12-10-16-9-11-17/h13-14,16-17H,8-12H2,1-7H3
InChIKeyDVIMWKCCSCYWEE-UHFFFAOYSA-N
XLogP2.96
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.52
LogP ≤ 52.96
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-[2-[2-[ethyl-di(propan-2-yl)-λ4-sulfanyl]propan-2-yloxy]ethylamino]ethanol?
The IUPAC name of 2-[2-[2-[ethyl-di(propan-2-yl)-λ4-sulfanyl]propan-2-yloxy]ethylamino]ethanol (CID 129232051) is 2-[2-[2-[ethyl-di(propan-2-yl)-λ4-sulfanyl]propan-2-yloxy]ethylamino]ethanol.
What is the SMILES notation for 2-[2-[2-[ethyl-di(propan-2-yl)-λ4-sulfanyl]propan-2-yloxy]ethylamino]ethanol?
The canonical SMILES for 2-[2-[2-[ethyl-di(propan-2-yl)-λ4-sulfanyl]propan-2-yloxy]ethylamino]ethanol is CCS(C(C)C)(C(C)C)C(C)(C)OCCNCCO.
What is the InChIKey of 2-[2-[2-[ethyl-di(propan-2-yl)-λ4-sulfanyl]propan-2-yloxy]ethylamino]ethanol?
The InChIKey is DVIMWKCCSCYWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H35NO2S/c1-8-19(13(2)3,14(4)5)15(6,7)18-12-10-16-9-11-17/h13-14,16-17H,8-12H2,1-7H3.
What are the key properties of 2-[2-[2-[ethyl-di(propan-2-yl)-λ4-sulfanyl]propan-2-yloxy]ethylamino]ethanol?
2-[2-[2-[ethyl-di(propan-2-yl)-λ4-sulfanyl]propan-2-yloxy]ethylamino]ethanol has a molecular weight of 293.52 g/mol, XLogP of 2.96, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[ethyl-di(propan-2-yl)-λ4-sulfanyl]propan-2-yloxy]ethylamino]ethanol is sourced from PubChem (CID 129232051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).