1-(1-methoxypropan-2-yloxy)-3-(thiophen-2-ylmethylamino)propan-2-ol

C12H21NO3S — CID 106989341

IUPAC1-(1-methoxypropan-2-yloxy)-3-(thiophen-2-ylmethylamino)propan-2-ol
SMILESCOCC(C)OCC(O)CNCc1cccs1
InChIInChI=1S/C12H21NO3S/c1-10(8-15-2)16-9-11(14)6-13-7-12-4-3-5-17-12/h3-5,10-11,13-14H,6-9H2,1-2H3
InChIKeyBTBWZMCQKXTGRU-UHFFFAOYSA-N
MW259.37 g/mol
LogP1.25
Rot. Bonds9

About 1-(1-methoxypropan-2-yloxy)-3-(thiophen-2-ylmethylamino)propan-2-ol

1-(1-methoxypropan-2-yloxy)-3-(thiophen-2-ylmethylamino)propan-2-ol (PubChem CID 106989341) has the molecular formula C12H21NO3S and a molecular weight of 259.37 g/mol. Its IUPAC name is 1-(1-methoxypropan-2-yloxy)-3-(thiophen-2-ylmethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(1-methoxypropan-2-yloxy)-3-(thiophen-2-ylmethylamino)propan-2-ol
PubChem CID106989341
Molecular FormulaC12H21NO3S
Molecular Weight259.37 g/mol
Exact Mass259.12
IUPAC Name1-(1-methoxypropan-2-yloxy)-3-(thiophen-2-ylmethylamino)propan-2-ol
SMILESCOCC(C)OCC(O)CNCc1cccs1
InChIInChI=1S/C12H21NO3S/c1-10(8-15-2)16-9-11(14)6-13-7-12-4-3-5-17-12/h3-5,10-11,13-14H,6-9H2,1-2H3
InChIKeyBTBWZMCQKXTGRU-UHFFFAOYSA-N
XLogP1.25
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-propan-2-yloxyethoxy)-3-(thiophen-2-ylmethylamino)propan-2-ol
CID 60633221
2-(2-methylpropoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 62567464
1-[[2-(methoxymethyl)phenyl]methylamino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989494
methyl 3-hydroxy-4-(thiophen-2-ylmethylamino)butanoate
CID 115123322
1-(1-methoxypropan-2-yloxy)-3-[(5-methylfuran-2-yl)methylamino]propan-2-ol
CID 106989853
1-[ethyl(thiophen-2-ylmethyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991861
1-(1-methoxypropan-2-yloxy)-3-[(2-methyl-1,3-thiazol-4-yl)methylamino]propan-2-ol
CID 106989577
1-[(2-hydroxy-2-phenylethyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989374
2-butoxy-N-(thiophen-2-ylmethyl)propan-1-amine
CID 62585075
(2R)-1-(3-propan-2-yloxypropylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 2119639
1-(2-methylcyclohexyl)oxy-3-(thiophen-2-ylmethylamino)propan-2-ol
CID 60633182
1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 61150337

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypropan-2-yloxy)-3-(thiophen-2-ylmethylamino)propan-2-ol?
The IUPAC name of 1-(1-methoxypropan-2-yloxy)-3-(thiophen-2-ylmethylamino)propan-2-ol (CID 106989341) is 1-(1-methoxypropan-2-yloxy)-3-(thiophen-2-ylmethylamino)propan-2-ol.
What is the SMILES notation for 1-(1-methoxypropan-2-yloxy)-3-(thiophen-2-ylmethylamino)propan-2-ol?
The canonical SMILES for 1-(1-methoxypropan-2-yloxy)-3-(thiophen-2-ylmethylamino)propan-2-ol is COCC(C)OCC(O)CNCc1cccs1.
What is the InChIKey of 1-(1-methoxypropan-2-yloxy)-3-(thiophen-2-ylmethylamino)propan-2-ol?
The InChIKey is BTBWZMCQKXTGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3S/c1-10(8-15-2)16-9-11(14)6-13-7-12-4-3-5-17-12/h3-5,10-11,13-14H,6-9H2,1-2H3.
What are the key properties of 1-(1-methoxypropan-2-yloxy)-3-(thiophen-2-ylmethylamino)propan-2-ol?
1-(1-methoxypropan-2-yloxy)-3-(thiophen-2-ylmethylamino)propan-2-ol has a molecular weight of 259.37 g/mol, XLogP of 1.25, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxypropan-2-yloxy)-3-(thiophen-2-ylmethylamino)propan-2-ol is sourced from PubChem (CID 106989341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).