1-(3-methoxyphenoxy)-3-(1-methylsulfonylpropan-2-ylamino)propan-2-ol

C14H23NO5S — CID 64642037

IUPAC1-(3-methoxyphenoxy)-3-(1-methylsulfonylpropan-2-ylamino)propan-2-ol
SMILESCOc1cccc(OCC(O)CNC(C)CS(C)(=O)=O)c1
InChIInChI=1S/C14H23NO5S/c1-11(10-21(3,17)18)15-8-12(16)9-20-14-6-4-5-13(7-14)19-2/h4-7,11-12,15-16H,8-10H2,1-3H3
InChIKeyOTQVBXYUMCQOFY-UHFFFAOYSA-N
MW317.41 g/mol
LogP0.46
Rot. Bonds9

About 1-(3-methoxyphenoxy)-3-(1-methylsulfonylpropan-2-ylamino)propan-2-ol

1-(3-methoxyphenoxy)-3-(1-methylsulfonylpropan-2-ylamino)propan-2-ol (PubChem CID 64642037) has the molecular formula C14H23NO5S and a molecular weight of 317.41 g/mol. Its IUPAC name is 1-(3-methoxyphenoxy)-3-(1-methylsulfonylpropan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(3-methoxyphenoxy)-3-(1-methylsulfonylpropan-2-ylamino)propan-2-ol
PubChem CID64642037
Molecular FormulaC14H23NO5S
Molecular Weight317.41 g/mol
Exact Mass317.13
IUPAC Name1-(3-methoxyphenoxy)-3-(1-methylsulfonylpropan-2-ylamino)propan-2-ol
SMILESCOc1cccc(OCC(O)CNC(C)CS(C)(=O)=O)c1
InChIInChI=1S/C14H23NO5S/c1-11(10-21(3,17)18)15-8-12(16)9-20-14-6-4-5-13(7-14)19-2/h4-7,11-12,15-16H,8-10H2,1-3H3
InChIKeyOTQVBXYUMCQOFY-UHFFFAOYSA-N
XLogP0.46
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-chlorophenoxy)-3-(1-methylsulfonylpropan-2-ylamino)propan-2-ol
CID 64643980
1-(1-hydroxypropan-2-ylamino)-3-(3-methoxyphenoxy)propan-2-ol
CID 60909725
1-(1-methylsulfonylpropan-2-ylamino)-3-phenoxypropan-2-ol
CID 64642817
4-[2-hydroxy-3-[1-(3-methoxyphenoxy)propan-2-ylamino]propoxy]phenol
CID 70552130
(2S)-1-[[(2S)-3,3-dimethylbutan-2-yl]amino]-3-(3-methoxyphenoxy)propan-2-ol
CID 39826278
1-[1-(furan-2-yl)ethylamino]-3-(3-methoxyphenoxy)propan-2-ol
CID 60909460
2-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]-2-methylpropanamide
CID 61219801
3-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]-4-methoxybutan-1-ol
CID 106159850
1-(3-methoxyphenoxy)-3-(1-thiophen-3-ylethylamino)propan-2-ol
CID 62841183
1-(2,2-difluoroethylamino)-3-(3-methoxyphenoxy)propan-2-ol
CID 115406734
1-(3-methoxyphenoxy)-5-methylhexan-2-ol
CID 157099262
1-(3-aminophenoxy)-3-(3-methoxyphenoxy)propan-2-ol
CID 62269535

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenoxy)-3-(1-methylsulfonylpropan-2-ylamino)propan-2-ol?
The IUPAC name of 1-(3-methoxyphenoxy)-3-(1-methylsulfonylpropan-2-ylamino)propan-2-ol (CID 64642037) is 1-(3-methoxyphenoxy)-3-(1-methylsulfonylpropan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-(3-methoxyphenoxy)-3-(1-methylsulfonylpropan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-(3-methoxyphenoxy)-3-(1-methylsulfonylpropan-2-ylamino)propan-2-ol is COc1cccc(OCC(O)CNC(C)CS(C)(=O)=O)c1.
What is the InChIKey of 1-(3-methoxyphenoxy)-3-(1-methylsulfonylpropan-2-ylamino)propan-2-ol?
The InChIKey is OTQVBXYUMCQOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO5S/c1-11(10-21(3,17)18)15-8-12(16)9-20-14-6-4-5-13(7-14)19-2/h4-7,11-12,15-16H,8-10H2,1-3H3.
What are the key properties of 1-(3-methoxyphenoxy)-3-(1-methylsulfonylpropan-2-ylamino)propan-2-ol?
1-(3-methoxyphenoxy)-3-(1-methylsulfonylpropan-2-ylamino)propan-2-ol has a molecular weight of 317.41 g/mol, XLogP of 0.46, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenoxy)-3-(1-methylsulfonylpropan-2-ylamino)propan-2-ol is sourced from PubChem (CID 64642037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).