1-(2-methoxyethoxy)-3-(2-methylsulfanylpropylamino)propan-2-ol

C10H23NO3S — CID 106990485

IUPAC1-(2-methoxyethoxy)-3-(2-methylsulfanylpropylamino)propan-2-ol
SMILESCOCCOCC(O)CNCC(C)SC
InChIInChI=1S/C10H23NO3S/c1-9(15-3)6-11-7-10(12)8-14-5-4-13-2/h9-12H,4-8H2,1-3H3
InChIKeyFEMMKJYBOGRERU-UHFFFAOYSA-N
MW237.36 g/mol
LogP0.35
Rot. Bonds10

About 1-(2-methoxyethoxy)-3-(2-methylsulfanylpropylamino)propan-2-ol

1-(2-methoxyethoxy)-3-(2-methylsulfanylpropylamino)propan-2-ol (PubChem CID 106990485) has the molecular formula C10H23NO3S and a molecular weight of 237.36 g/mol. Its IUPAC name is 1-(2-methoxyethoxy)-3-(2-methylsulfanylpropylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2-methoxyethoxy)-3-(2-methylsulfanylpropylamino)propan-2-ol
PubChem CID106990485
Molecular FormulaC10H23NO3S
Molecular Weight237.36 g/mol
Exact Mass237.14
IUPAC Name1-(2-methoxyethoxy)-3-(2-methylsulfanylpropylamino)propan-2-ol
SMILESCOCCOCC(O)CNCC(C)SC
InChIInChI=1S/C10H23NO3S/c1-9(15-3)6-11-7-10(12)8-14-5-4-13-2/h9-12H,4-8H2,1-3H3
InChIKeyFEMMKJYBOGRERU-UHFFFAOYSA-N
XLogP0.35
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
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-hydroxy-3-(2-methoxyethoxy)propyl]amino]butan-2-ol
CID 106990539
1-(2-methoxyethoxy)-3-(3,3,3-trifluoropropylamino)propan-2-ol
CID 106989915
1-[2-(2-methoxyethoxy)ethoxy]-3-(propan-2-ylamino)propan-2-ol
CID 104561126
1-(2-methoxyethoxy)-3-(prop-2-enylamino)propan-2-ol
CID 106988982
1-(2-methoxyethoxy)-3-[4-(2-methoxyethoxy)butylamino]propan-2-ol
CID 106990471
1-(2-ethoxyethoxy)-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-2-ol
CID 63965158
1-(2-ethylhexylamino)-3-(2-methoxyethoxy)propan-2-ol
CID 114004592
methyl 2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]propanoate
CID 106989632
1-(2-methoxyethoxy)-3-(1-methylsulfanylbutan-2-ylamino)propan-2-ol
CID 106990546
1-(2-methoxyethoxy)-3-(2,2,3,3-tetrafluoropropylamino)propan-2-ol
CID 106291988
N-(3-methoxypropyl)-2-methylsulfanylpropan-1-amine
CID 62581365
1-(2-methoxyethoxy)-3-(2-prop-2-enylsulfanylethylamino)propan-2-ol
CID 106427994

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethoxy)-3-(2-methylsulfanylpropylamino)propan-2-ol?
The IUPAC name of 1-(2-methoxyethoxy)-3-(2-methylsulfanylpropylamino)propan-2-ol (CID 106990485) is 1-(2-methoxyethoxy)-3-(2-methylsulfanylpropylamino)propan-2-ol.
What is the SMILES notation for 1-(2-methoxyethoxy)-3-(2-methylsulfanylpropylamino)propan-2-ol?
The canonical SMILES for 1-(2-methoxyethoxy)-3-(2-methylsulfanylpropylamino)propan-2-ol is COCCOCC(O)CNCC(C)SC.
What is the InChIKey of 1-(2-methoxyethoxy)-3-(2-methylsulfanylpropylamino)propan-2-ol?
The InChIKey is FEMMKJYBOGRERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO3S/c1-9(15-3)6-11-7-10(12)8-14-5-4-13-2/h9-12H,4-8H2,1-3H3.
What are the key properties of 1-(2-methoxyethoxy)-3-(2-methylsulfanylpropylamino)propan-2-ol?
1-(2-methoxyethoxy)-3-(2-methylsulfanylpropylamino)propan-2-ol has a molecular weight of 237.36 g/mol, XLogP of 0.35, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethoxy)-3-(2-methylsulfanylpropylamino)propan-2-ol is sourced from PubChem (CID 106990485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).