3-[diethoxy(methyl)-λ4-sulfanyl]propan-1-amine;ethanol

C10H27NO3S — CID 143933313

IUPAC3-[diethoxy(methyl)-λ4-sulfanyl]propan-1-amine;ethanol
SMILESCCO.CCOS(C)(CCCN)OCC
InChIInChI=1S/C8H21NO2S.C2H6O/c1-4-10-12(3,11-5-2)8-6-7-9;1-2-3/h4-9H2,1-3H3;3H,2H2,1H3
InChIKeyBOULAZFXODGYQD-UHFFFAOYSA-N
MW241.40 g/mol
LogP1.67
Rot. Bonds7

About 3-[diethoxy(methyl)-λ4-sulfanyl]propan-1-amine;ethanol

3-[diethoxy(methyl)-λ4-sulfanyl]propan-1-amine;ethanol (PubChem CID 143933313) has the molecular formula C10H27NO3S and a molecular weight of 241.40 g/mol. Its IUPAC name is 3-[diethoxy(methyl)-λ4-sulfanyl]propan-1-amine;ethanol.

Molecular Properties

Compound Name3-[diethoxy(methyl)-λ4-sulfanyl]propan-1-amine;ethanol
PubChem CID143933313
Molecular FormulaC10H27NO3S
Molecular Weight241.40 g/mol
Exact Mass241.17
IUPAC Name3-[diethoxy(methyl)-λ4-sulfanyl]propan-1-amine;ethanol
SMILESCCO.CCOS(C)(CCCN)OCC
InChIInChI=1S/C8H21NO2S.C2H6O/c1-4-10-12(3,11-5-2)8-6-7-9;1-2-3/h4-9H2,1-3H3;3H,2H2,1H3
InChIKeyBOULAZFXODGYQD-UHFFFAOYSA-N
XLogP1.67
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethanol;octane-1,8-diamine
CID 159247635
3-[dihydroxy(methyl)-λ4-sulfanyl]propan-1-amine
CID 143992140
ethanol;3-ethoxypropanamide;3-ethoxypropan-1-amine
CID 160938078
3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxy-λ4-sulfanyl]propan-1-amine
CID 153469765
butan-1-amine;2-(2-hydroxyethoxy)ethanol
CID 158511117
3-(trimethoxy-λ4-sulfanyl)propan-1-amine
CID 154533751
ethanol;octan-1-amine;hydrate
CID 174925866
ethanol;ruthenium
CID 150841781
ethanol;ruthenium
CID 157358792
2-[3-aminopropyl(ethyl)amino]ethane-1,1-diol;ethyl hydrogen sulfate
CID 174060252
9-methylsulfonylnonan-1-amine
CID 101417644
4-ethoxybutan-1-amine;hydrochloride
CID 87771260

Frequently Asked Questions

What is the IUPAC name of 3-[diethoxy(methyl)-λ4-sulfanyl]propan-1-amine;ethanol?
The IUPAC name of 3-[diethoxy(methyl)-λ4-sulfanyl]propan-1-amine;ethanol (CID 143933313) is 3-[diethoxy(methyl)-λ4-sulfanyl]propan-1-amine;ethanol.
What is the SMILES notation for 3-[diethoxy(methyl)-λ4-sulfanyl]propan-1-amine;ethanol?
The canonical SMILES for 3-[diethoxy(methyl)-λ4-sulfanyl]propan-1-amine;ethanol is CCO.CCOS(C)(CCCN)OCC.
What is the InChIKey of 3-[diethoxy(methyl)-λ4-sulfanyl]propan-1-amine;ethanol?
The InChIKey is BOULAZFXODGYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21NO2S.C2H6O/c1-4-10-12(3,11-5-2)8-6-7-9;1-2-3/h4-9H2,1-3H3;3H,2H2,1H3.
What are the key properties of 3-[diethoxy(methyl)-λ4-sulfanyl]propan-1-amine;ethanol?
3-[diethoxy(methyl)-λ4-sulfanyl]propan-1-amine;ethanol has a molecular weight of 241.40 g/mol, XLogP of 1.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[diethoxy(methyl)-λ4-sulfanyl]propan-1-amine;ethanol is sourced from PubChem (CID 143933313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).