1-ethoxy-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-2-ol

C10H23NO2S — CID 63966276

IUPAC1-ethoxy-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-2-ol
SMILESCCOCC(O)CNCC(C)CSC
InChIInChI=1S/C10H23NO2S/c1-4-13-7-10(12)6-11-5-9(2)8-14-3/h9-12H,4-8H2,1-3H3
InChIKeyDRHGILQRBGLBAH-UHFFFAOYSA-N
MW221.37 g/mol
LogP0.97
Rot. Bonds9

About 1-ethoxy-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-2-ol

1-ethoxy-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-2-ol (PubChem CID 63966276) has the molecular formula C10H23NO2S and a molecular weight of 221.37 g/mol. Its IUPAC name is 1-ethoxy-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-ethoxy-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-2-ol
PubChem CID63966276
Molecular FormulaC10H23NO2S
Molecular Weight221.37 g/mol
Exact Mass221.14
IUPAC Name1-ethoxy-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-2-ol
SMILESCCOCC(O)CNCC(C)CSC
InChIInChI=1S/C10H23NO2S/c1-4-13-7-10(12)6-11-5-9(2)8-14-3/h9-12H,4-8H2,1-3H3
InChIKeyDRHGILQRBGLBAH-UHFFFAOYSA-N
XLogP0.97
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethoxyethoxy)-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-2-ol
CID 63965158
1-ethoxy-3-[(3-ethoxy-2-hydroxypropyl)amino]propan-2-ol
CID 139812156
3-[(3-ethoxy-2-hydroxypropyl)amino]-2-methylpropanal
CID 126611622
1-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-2-ol
CID 63964083
1-cyclohexyloxy-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-2-ol
CID 63966706
1-ethoxy-3-(propylamino)propan-2-ol
CID 15683481
1-(2-methylbutylamino)-3-(2-methylpropoxy)propan-2-ol
CID 62692862
N-(3-ethoxypropyl)-2-methyl-3-methylsulfanylpropan-1-amine
CID 65175780
1-(2-ethoxyethoxy)-3-(2-methylsulfanylethylamino)propan-2-ol
CID 63965990
3-[(3-ethoxy-2-hydroxypropyl)amino]-2-hydroxypropanamide
CID 106174560
1-ethoxy-3-(4-methylpentylamino)propan-2-ol
CID 63933585
1-ethoxy-3-(2-methylprop-2-enylamino)propan-2-ol
CID 114616793

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-2-ol?
The IUPAC name of 1-ethoxy-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-2-ol (CID 63966276) is 1-ethoxy-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-2-ol.
What is the SMILES notation for 1-ethoxy-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-2-ol?
The canonical SMILES for 1-ethoxy-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-2-ol is CCOCC(O)CNCC(C)CSC.
What is the InChIKey of 1-ethoxy-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-2-ol?
The InChIKey is DRHGILQRBGLBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2S/c1-4-13-7-10(12)6-11-5-9(2)8-14-3/h9-12H,4-8H2,1-3H3.
What are the key properties of 1-ethoxy-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-2-ol?
1-ethoxy-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-2-ol has a molecular weight of 221.37 g/mol, XLogP of 0.97, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-2-ol is sourced from PubChem (CID 63966276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).