2-[4,4-dimethoxybutyl-[3-(trimethoxy-λ4-sulfanyl)propyl]amino]ethanol

C14H33NO6S — CID 142552141

IUPAC2-[4,4-dimethoxybutyl-[3-(trimethoxy-λ4-sulfanyl)propyl]amino]ethanol
SMILESCOC(CCCN(CCO)CCCS(OC)(OC)OC)OC
InChIInChI=1S/C14H33NO6S/c1-17-14(18-2)8-6-9-15(11-12-16)10-7-13-22(19-3,20-4)21-5/h14,16H,6-13H2,1-5H3
InChIKeyHNBWALFBQZFDIU-UHFFFAOYSA-N
MW343.49 g/mol
LogP1.56
Rot. Bonds15

About 2-[4,4-dimethoxybutyl-[3-(trimethoxy-λ4-sulfanyl)propyl]amino]ethanol

2-[4,4-dimethoxybutyl-[3-(trimethoxy-λ4-sulfanyl)propyl]amino]ethanol (PubChem CID 142552141) has the molecular formula C14H33NO6S and a molecular weight of 343.49 g/mol. Its IUPAC name is 2-[4,4-dimethoxybutyl-[3-(trimethoxy-λ4-sulfanyl)propyl]amino]ethanol.

Molecular Properties

Compound Name2-[4,4-dimethoxybutyl-[3-(trimethoxy-λ4-sulfanyl)propyl]amino]ethanol
PubChem CID142552141
Molecular FormulaC14H33NO6S
Molecular Weight343.49 g/mol
Exact Mass343.20
IUPAC Name2-[4,4-dimethoxybutyl-[3-(trimethoxy-λ4-sulfanyl)propyl]amino]ethanol
SMILESCOC(CCCN(CCO)CCCS(OC)(OC)OC)OC
InChIInChI=1S/C14H33NO6S/c1-17-14(18-2)8-6-9-15(11-12-16)10-7-13-22(19-3,20-4)21-5/h14,16H,6-13H2,1-5H3
InChIKeyHNBWALFBQZFDIU-UHFFFAOYSA-N
XLogP1.56
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.49
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[6,6-dimethoxyhexyl(2-hydroxyethyl)amino]ethanol
CID 176937232
2-[2-hydroxyethyl(3-methylsulfonylpropyl)amino]ethanol
CID 63196306
2-[2,2-dimethoxyethyl(2-hydroxyethyl)amino]ethanol
CID 66222761
12,12-dimethoxydodecan-1-ol
CID 71412944
3-[bis(2-hydroxyethyl)amino]propylazanium
CID 3282904
2-[bis[3-[bis(2-hydroxyethyl)amino]propyl]amino]ethanol
CID 167139785
(E)-N-(4,4-dimethoxybutyl)-N-propylpent-3-en-1-amine
CID 134580034
3-[bis(2-hydroxyethyl)amino]-N-methylpropane-1-sulfonamide
CID 23568037
2-[2-hydroxyethyl(5-methoxypentyl)amino]ethanol
CID 146845725
2-[butyl(2-hydroxyethyl)amino]ethanol
CID 23103220
2-[4-dodecylhexadecyl(tetradecyl)amino]ethanol
CID 166893886
2-[4-aminopentyl(propyl)amino]ethanol
CID 45357637

Frequently Asked Questions

What is the IUPAC name of 2-[4,4-dimethoxybutyl-[3-(trimethoxy-λ4-sulfanyl)propyl]amino]ethanol?
The IUPAC name of 2-[4,4-dimethoxybutyl-[3-(trimethoxy-λ4-sulfanyl)propyl]amino]ethanol (CID 142552141) is 2-[4,4-dimethoxybutyl-[3-(trimethoxy-λ4-sulfanyl)propyl]amino]ethanol.
What is the SMILES notation for 2-[4,4-dimethoxybutyl-[3-(trimethoxy-λ4-sulfanyl)propyl]amino]ethanol?
The canonical SMILES for 2-[4,4-dimethoxybutyl-[3-(trimethoxy-λ4-sulfanyl)propyl]amino]ethanol is COC(CCCN(CCO)CCCS(OC)(OC)OC)OC.
What is the InChIKey of 2-[4,4-dimethoxybutyl-[3-(trimethoxy-λ4-sulfanyl)propyl]amino]ethanol?
The InChIKey is HNBWALFBQZFDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H33NO6S/c1-17-14(18-2)8-6-9-15(11-12-16)10-7-13-22(19-3,20-4)21-5/h14,16H,6-13H2,1-5H3.
What are the key properties of 2-[4,4-dimethoxybutyl-[3-(trimethoxy-λ4-sulfanyl)propyl]amino]ethanol?
2-[4,4-dimethoxybutyl-[3-(trimethoxy-λ4-sulfanyl)propyl]amino]ethanol has a molecular weight of 343.49 g/mol, XLogP of 1.56, 15 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,4-dimethoxybutyl-[3-(trimethoxy-λ4-sulfanyl)propyl]amino]ethanol is sourced from PubChem (CID 142552141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).