1-(1-methoxypropan-2-yloxy)-3-[(1-methylsulfonylpiperidin-4-yl)amino]propan-2-ol

C13H28N2O5S — CID 106989436

IUPAC1-(1-methoxypropan-2-yloxy)-3-[(1-methylsulfonylpiperidin-4-yl)amino]propan-2-ol
SMILESCOCC(C)OCC(O)CNC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C13H28N2O5S/c1-11(9-19-2)20-10-13(16)8-14-12-4-6-15(7-5-12)21(3,17)18/h11-14,16H,4-10H2,1-3H3
InChIKeyCMOPIAZPIBHCBK-UHFFFAOYSA-N
MW324.44 g/mol
LogP-0.59
Rot. Bonds9

About 1-(1-methoxypropan-2-yloxy)-3-[(1-methylsulfonylpiperidin-4-yl)amino]propan-2-ol

1-(1-methoxypropan-2-yloxy)-3-[(1-methylsulfonylpiperidin-4-yl)amino]propan-2-ol (PubChem CID 106989436) has the molecular formula C13H28N2O5S and a molecular weight of 324.44 g/mol. Its IUPAC name is 1-(1-methoxypropan-2-yloxy)-3-[(1-methylsulfonylpiperidin-4-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(1-methoxypropan-2-yloxy)-3-[(1-methylsulfonylpiperidin-4-yl)amino]propan-2-ol
PubChem CID106989436
Molecular FormulaC13H28N2O5S
Molecular Weight324.44 g/mol
Exact Mass324.17
IUPAC Name1-(1-methoxypropan-2-yloxy)-3-[(1-methylsulfonylpiperidin-4-yl)amino]propan-2-ol
SMILESCOCC(C)OCC(O)CNC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C13H28N2O5S/c1-11(9-19-2)20-10-13(16)8-14-12-4-6-15(7-5-12)21(3,17)18/h11-14,16H,4-10H2,1-3H3
InChIKeyCMOPIAZPIBHCBK-UHFFFAOYSA-N
XLogP-0.59
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.44
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-cyclopentyloxy-3-[(1-methylsulfonylpiperidin-4-yl)amino]propan-2-ol
CID 60908468
1-[(1-methylsulfonylpiperidin-4-yl)amino]butan-2-ol
CID 60887095
N-(1-methoxypropan-2-yl)-2-[(1-methylsulfonylpiperidin-4-yl)amino]acetamide
CID 60976886
1-(cyclopropylamino)-3-methoxypropan-2-ol
CID 21034992
1-[(1-methylpiperidin-4-yl)amino]-3-propan-2-yloxypropan-2-ol
CID 60909990
1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989689
1-methylsulfonyl-N-(2-phenylpropyl)piperidin-4-amine
CID 43432051
1-[(2-ethylcyclohexyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989604
1-[(2,2-dimethylcyclopentyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106990157
1-(cyclobutylmethylamino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989343
ethyl 4-[(2-hydroxy-3-propan-2-yloxypropyl)amino]piperidine-1-carboxylate
CID 60632844
1-[(1-cyclopropylpyrrolidin-3-yl)amino]-3-methoxypropan-2-ol
CID 63930703

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypropan-2-yloxy)-3-[(1-methylsulfonylpiperidin-4-yl)amino]propan-2-ol?
The IUPAC name of 1-(1-methoxypropan-2-yloxy)-3-[(1-methylsulfonylpiperidin-4-yl)amino]propan-2-ol (CID 106989436) is 1-(1-methoxypropan-2-yloxy)-3-[(1-methylsulfonylpiperidin-4-yl)amino]propan-2-ol.
What is the SMILES notation for 1-(1-methoxypropan-2-yloxy)-3-[(1-methylsulfonylpiperidin-4-yl)amino]propan-2-ol?
The canonical SMILES for 1-(1-methoxypropan-2-yloxy)-3-[(1-methylsulfonylpiperidin-4-yl)amino]propan-2-ol is COCC(C)OCC(O)CNC1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 1-(1-methoxypropan-2-yloxy)-3-[(1-methylsulfonylpiperidin-4-yl)amino]propan-2-ol?
The InChIKey is CMOPIAZPIBHCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O5S/c1-11(9-19-2)20-10-13(16)8-14-12-4-6-15(7-5-12)21(3,17)18/h11-14,16H,4-10H2,1-3H3.
What are the key properties of 1-(1-methoxypropan-2-yloxy)-3-[(1-methylsulfonylpiperidin-4-yl)amino]propan-2-ol?
1-(1-methoxypropan-2-yloxy)-3-[(1-methylsulfonylpiperidin-4-yl)amino]propan-2-ol has a molecular weight of 324.44 g/mol, XLogP of -0.59, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxypropan-2-yloxy)-3-[(1-methylsulfonylpiperidin-4-yl)amino]propan-2-ol is sourced from PubChem (CID 106989436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).