1-(1-methylsulfonylpropan-2-ylamino)-3-phenoxypropan-2-ol

C13H21NO4S — CID 64642817

IUPAC1-(1-methylsulfonylpropan-2-ylamino)-3-phenoxypropan-2-ol
SMILESCC(CS(C)(=O)=O)NCC(O)COc1ccccc1
InChIInChI=1S/C13H21NO4S/c1-11(10-19(2,16)17)14-8-12(15)9-18-13-6-4-3-5-7-13/h3-7,11-12,14-15H,8-10H2,1-2H3
InChIKeyAXISJSOLQJMRMC-UHFFFAOYSA-N
MW287.38 g/mol
LogP0.45
Rot. Bonds8

About 1-(1-methylsulfonylpropan-2-ylamino)-3-phenoxypropan-2-ol

1-(1-methylsulfonylpropan-2-ylamino)-3-phenoxypropan-2-ol (PubChem CID 64642817) has the molecular formula C13H21NO4S and a molecular weight of 287.38 g/mol. Its IUPAC name is 1-(1-methylsulfonylpropan-2-ylamino)-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name1-(1-methylsulfonylpropan-2-ylamino)-3-phenoxypropan-2-ol
PubChem CID64642817
Molecular FormulaC13H21NO4S
Molecular Weight287.38 g/mol
Exact Mass287.12
IUPAC Name1-(1-methylsulfonylpropan-2-ylamino)-3-phenoxypropan-2-ol
SMILESCC(CS(C)(=O)=O)NCC(O)COc1ccccc1
InChIInChI=1S/C13H21NO4S/c1-11(10-19(2,16)17)14-8-12(15)9-18-13-6-4-3-5-7-13/h3-7,11-12,14-15H,8-10H2,1-2H3
InChIKeyAXISJSOLQJMRMC-UHFFFAOYSA-N
XLogP0.45
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methoxyphenoxy)-3-(1-methylsulfonylpropan-2-ylamino)propan-2-ol
CID 64642037
1-(3-chlorophenoxy)-3-(1-methylsulfonylpropan-2-ylamino)propan-2-ol
CID 64643980
(2R)-1-phenoxy-3-(propan-2-ylamino)propan-2-ol
CID 843464
(2R)-2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]propanoic acid
CID 40543805
1-(hexan-2-ylamino)-3-phenoxypropan-2-ol
CID 54196507
(2R)-1-(2-ethylphenoxy)-3-[[(2S)-1-phenoxypropan-2-yl]amino]propan-2-ol
CID 125487724
4-[2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]propyl]benzoic acid
CID 54335726
2-[(2-hydroxy-3-phenoxypropyl)amino]-N-methylpropanamide
CID 54950769
1-(butan-2-ylamino)-3-(4-phenylphenoxy)propan-2-ol
CID 44785149
(2S,3S)-2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-3-methylpentanoic acid
CID 51412077
1-(2-methylpropoxy)-3-(1-methylsulfonylpropan-2-ylamino)propan-2-ol
CID 64631835
(2R)-1-[[(2R)-1-[4-[(2R)-2-aminopropyl]phenyl]propan-2-yl]amino]-3-phenoxypropan-2-ol
CID 70462176

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylsulfonylpropan-2-ylamino)-3-phenoxypropan-2-ol?
The IUPAC name of 1-(1-methylsulfonylpropan-2-ylamino)-3-phenoxypropan-2-ol (CID 64642817) is 1-(1-methylsulfonylpropan-2-ylamino)-3-phenoxypropan-2-ol.
What is the SMILES notation for 1-(1-methylsulfonylpropan-2-ylamino)-3-phenoxypropan-2-ol?
The canonical SMILES for 1-(1-methylsulfonylpropan-2-ylamino)-3-phenoxypropan-2-ol is CC(CS(C)(=O)=O)NCC(O)COc1ccccc1.
What is the InChIKey of 1-(1-methylsulfonylpropan-2-ylamino)-3-phenoxypropan-2-ol?
The InChIKey is AXISJSOLQJMRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4S/c1-11(10-19(2,16)17)14-8-12(15)9-18-13-6-4-3-5-7-13/h3-7,11-12,14-15H,8-10H2,1-2H3.
What are the key properties of 1-(1-methylsulfonylpropan-2-ylamino)-3-phenoxypropan-2-ol?
1-(1-methylsulfonylpropan-2-ylamino)-3-phenoxypropan-2-ol has a molecular weight of 287.38 g/mol, XLogP of 0.45, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylsulfonylpropan-2-ylamino)-3-phenoxypropan-2-ol is sourced from PubChem (CID 64642817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).