1-(2-methoxyethylamino)-3-(oxolan-2-ylmethylsulfanyl)propan-2-ol

C11H23NO3S — CID 106494643

IUPAC1-(2-methoxyethylamino)-3-(oxolan-2-ylmethylsulfanyl)propan-2-ol
SMILESCOCCNCC(O)CSCC1CCCO1
InChIInChI=1S/C11H23NO3S/c1-14-6-4-12-7-10(13)8-16-9-11-3-2-5-15-11/h10-13H,2-9H2,1H3
InChIKeyYSNUPQOQYSRSCI-UHFFFAOYSA-N
MW249.38 g/mol
LogP0.50
Rot. Bonds9

About 1-(2-methoxyethylamino)-3-(oxolan-2-ylmethylsulfanyl)propan-2-ol

1-(2-methoxyethylamino)-3-(oxolan-2-ylmethylsulfanyl)propan-2-ol (PubChem CID 106494643) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 1-(2-methoxyethylamino)-3-(oxolan-2-ylmethylsulfanyl)propan-2-ol.

Molecular Properties

Compound Name1-(2-methoxyethylamino)-3-(oxolan-2-ylmethylsulfanyl)propan-2-ol
PubChem CID106494643
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC Name1-(2-methoxyethylamino)-3-(oxolan-2-ylmethylsulfanyl)propan-2-ol
SMILESCOCCNCC(O)CSCC1CCCO1
InChIInChI=1S/C11H23NO3S/c1-14-6-4-12-7-10(13)8-16-9-11-3-2-5-15-11/h10-13H,2-9H2,1H3
InChIKeyYSNUPQOQYSRSCI-UHFFFAOYSA-N
XLogP0.50
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(oxolan-2-ylmethylsulfanyl)butan-2-ol
CID 103579647
1-methoxy-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol
CID 63928603
2-methyl-3-(oxolan-2-ylmethylsulfanyl)-N-propylpropan-1-amine
CID 106495354
1-N-(2-methoxyethyl)-2-N-[3-(oxolan-2-yl)propyl]propane-1,2-diamine
CID 113407671
(2S)-3-[2-(oxolan-2-yl)ethylamino]propane-1,2-diol
CID 61141174
N-(2-methoxyethyl)-2-(oxolan-2-yl)acetamide
CID 110696561
2-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-3-(oxolan-2-yl)propan-1-amine
CID 62725175
1-(2-methoxyethylamino)-2-methyl-3-(oxolan-2-yl)propan-2-ol
CID 66037769
(2S)-2-[[(2R)-oxolan-2-yl]methylsulfanylmethyl]oxolane
CID 129402242
(2R)-1-[2-(2-hydroxyethoxy)ethylamino]-3-[[(2S)-oxolan-2-yl]methoxy]propan-2-ol
CID 94562031
1-(3-ethoxypropylamino)-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 60634131
1-(5,5-dimethyloxolan-2-yl)-3-(2-methoxyethylamino)propan-2-ol
CID 116525065

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethylamino)-3-(oxolan-2-ylmethylsulfanyl)propan-2-ol?
The IUPAC name of 1-(2-methoxyethylamino)-3-(oxolan-2-ylmethylsulfanyl)propan-2-ol (CID 106494643) is 1-(2-methoxyethylamino)-3-(oxolan-2-ylmethylsulfanyl)propan-2-ol.
What is the SMILES notation for 1-(2-methoxyethylamino)-3-(oxolan-2-ylmethylsulfanyl)propan-2-ol?
The canonical SMILES for 1-(2-methoxyethylamino)-3-(oxolan-2-ylmethylsulfanyl)propan-2-ol is COCCNCC(O)CSCC1CCCO1.
What is the InChIKey of 1-(2-methoxyethylamino)-3-(oxolan-2-ylmethylsulfanyl)propan-2-ol?
The InChIKey is YSNUPQOQYSRSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3S/c1-14-6-4-12-7-10(13)8-16-9-11-3-2-5-15-11/h10-13H,2-9H2,1H3.
What are the key properties of 1-(2-methoxyethylamino)-3-(oxolan-2-ylmethylsulfanyl)propan-2-ol?
1-(2-methoxyethylamino)-3-(oxolan-2-ylmethylsulfanyl)propan-2-ol has a molecular weight of 249.38 g/mol, XLogP of 0.50, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethylamino)-3-(oxolan-2-ylmethylsulfanyl)propan-2-ol is sourced from PubChem (CID 106494643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).