1-(2-ethoxyethoxy)-3-(2-methylsulfanylethylamino)propan-2-ol

C10H23NO3S — CID 63965990

IUPAC1-(2-ethoxyethoxy)-3-(2-methylsulfanylethylamino)propan-2-ol
SMILESCCOCCOCC(O)CNCCSC
InChIInChI=1S/C10H23NO3S/c1-3-13-5-6-14-9-10(12)8-11-4-7-15-2/h10-12H,3-9H2,1-2H3
InChIKeyLLTCRGWVRUFXJS-UHFFFAOYSA-N
MW237.36 g/mol
LogP0.35
Rot. Bonds11

About 1-(2-ethoxyethoxy)-3-(2-methylsulfanylethylamino)propan-2-ol

1-(2-ethoxyethoxy)-3-(2-methylsulfanylethylamino)propan-2-ol (PubChem CID 63965990) has the molecular formula C10H23NO3S and a molecular weight of 237.36 g/mol. Its IUPAC name is 1-(2-ethoxyethoxy)-3-(2-methylsulfanylethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2-ethoxyethoxy)-3-(2-methylsulfanylethylamino)propan-2-ol
PubChem CID63965990
Molecular FormulaC10H23NO3S
Molecular Weight237.36 g/mol
Exact Mass237.14
IUPAC Name1-(2-ethoxyethoxy)-3-(2-methylsulfanylethylamino)propan-2-ol
SMILESCCOCCOCC(O)CNCCSC
InChIInChI=1S/C10H23NO3S/c1-3-13-5-6-14-9-10(12)8-11-4-7-15-2/h10-12H,3-9H2,1-2H3
InChIKeyLLTCRGWVRUFXJS-UHFFFAOYSA-N
XLogP0.35
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 50.35
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-(2-aminoethylamino)-3-(2-ethoxyethoxy)propan-2-ol
CID 62141108
1-(2-ethoxyethoxy)-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-2-ol
CID 63965158
1-(2-ethoxyethoxy)-3-(pentylamino)propan-2-ol
CID 60632874
1-[2-(cyclopropylmethoxy)ethylamino]-3-(2-ethoxyethoxy)propan-2-ol
CID 114097862
3-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]propanamide
CID 60910580
methyl 3-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]propanoate
CID 54935728
5-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]-2-methylpentan-1-ol
CID 114151870
1-(2-butoxyethoxy)-3-(2-butoxyethylamino)propan-2-ol
CID 61171086
1-ethoxy-3-(propylamino)propan-2-ol
CID 15683481
1-(3-ethoxypropylamino)-3-octoxypropan-2-ol
CID 60634251
1-(1-methoxypropan-2-yloxy)-3-(2-methylsulfanylethylamino)propan-2-ol
CID 106989964
1-(2-ethoxyethoxy)-3-(hex-5-ynylamino)propan-2-ol
CID 106211324

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethoxy)-3-(2-methylsulfanylethylamino)propan-2-ol?
The IUPAC name of 1-(2-ethoxyethoxy)-3-(2-methylsulfanylethylamino)propan-2-ol (CID 63965990) is 1-(2-ethoxyethoxy)-3-(2-methylsulfanylethylamino)propan-2-ol.
What is the SMILES notation for 1-(2-ethoxyethoxy)-3-(2-methylsulfanylethylamino)propan-2-ol?
The canonical SMILES for 1-(2-ethoxyethoxy)-3-(2-methylsulfanylethylamino)propan-2-ol is CCOCCOCC(O)CNCCSC.
What is the InChIKey of 1-(2-ethoxyethoxy)-3-(2-methylsulfanylethylamino)propan-2-ol?
The InChIKey is LLTCRGWVRUFXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO3S/c1-3-13-5-6-14-9-10(12)8-11-4-7-15-2/h10-12H,3-9H2,1-2H3.
What are the key properties of 1-(2-ethoxyethoxy)-3-(2-methylsulfanylethylamino)propan-2-ol?
1-(2-ethoxyethoxy)-3-(2-methylsulfanylethylamino)propan-2-ol has a molecular weight of 237.36 g/mol, XLogP of 0.35, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethoxy)-3-(2-methylsulfanylethylamino)propan-2-ol is sourced from PubChem (CID 63965990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).