(2R)-1-methylsulfonyl-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol

C14H20O4S — CID 95173175

IUPAC(2R)-1-methylsulfonyl-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol
SMILESCS(=O)(=O)C[C@H](O)CO[C@H]1CCCc2ccccc21
InChIInChI=1S/C14H20O4S/c1-19(16,17)10-12(15)9-18-14-8-4-6-11-5-2-3-7-13(11)14/h2-3,5,7,12,14-15H,4,6,8-10H2,1H3/t12-,14+/m1/s1
InChIKeyHFWPOTHDPKDTII-OCCSQVGLSA-N
MW284.38 g/mol
LogP1.49
Rot. Bonds5

About (2R)-1-methylsulfonyl-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol

(2R)-1-methylsulfonyl-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol (PubChem CID 95173175) has the molecular formula C14H20O4S and a molecular weight of 284.38 g/mol. Its IUPAC name is (2R)-1-methylsulfonyl-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-methylsulfonyl-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol
PubChem CID95173175
Molecular FormulaC14H20O4S
Molecular Weight284.38 g/mol
Exact Mass284.11
IUPAC Name(2R)-1-methylsulfonyl-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol
SMILESCS(=O)(=O)C[C@H](O)CO[C@H]1CCCc2ccccc21
InChIInChI=1S/C14H20O4S/c1-19(16,17)10-12(15)9-18-14-8-4-6-11-5-2-3-7-13(11)14/h2-3,5,7,12,14-15H,4,6,8-10H2,1H3/t12-,14+/m1/s1
InChIKeyHFWPOTHDPKDTII-OCCSQVGLSA-N
XLogP1.49
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-1-methylsulfonyl-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol with MolForge

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Related Compounds

1-[methyl(propyl)amino]-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol
CID 110909701
3-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)butane-1-sulfonyl chloride
CID 65013134
(2S)-1-(4-methylpiperazin-1-yl)-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol
CID 2121484
3-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)butane-1-sulfonamide
CID 65012895
1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol
CID 4555077
1-(4-propan-2-ylpiperazin-1-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol
CID 110887836
(2R)-1-[2-hydroxyethyl(propyl)amino]-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol
CID 124804735
2-[[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]-methylamino]-N-propan-2-ylacetamide
CID 110882190
(2S)-1-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol
CID 2118228
1-[methyl(3,3,3-trifluoropropyl)amino]-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol
CID 110905336
2-[1-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]piperidin-4-yl]acetamide
CID 110892663
2-amino-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-1-ol
CID 64803202

Frequently Asked Questions

What is the IUPAC name of (2R)-1-methylsulfonyl-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol?
The IUPAC name of (2R)-1-methylsulfonyl-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol (CID 95173175) is (2R)-1-methylsulfonyl-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol.
What is the SMILES notation for (2R)-1-methylsulfonyl-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol?
The canonical SMILES for (2R)-1-methylsulfonyl-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol is CS(=O)(=O)C[C@H](O)CO[C@H]1CCCc2ccccc21.
What is the InChIKey of (2R)-1-methylsulfonyl-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol?
The InChIKey is HFWPOTHDPKDTII-OCCSQVGLSA-N. The full InChI is InChI=1S/C14H20O4S/c1-19(16,17)10-12(15)9-18-14-8-4-6-11-5-2-3-7-13(11)14/h2-3,5,7,12,14-15H,4,6,8-10H2,1H3/t12-,14+/m1/s1.
What are the key properties of (2R)-1-methylsulfonyl-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol?
(2R)-1-methylsulfonyl-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol has a molecular weight of 284.38 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-methylsulfonyl-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol is sourced from PubChem (CID 95173175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).