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

C17H25NO4S — CID 25473248

IUPAC(2R)-1-[[(3R)-1,1-dioxothiolan-3-yl]amino]-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol
SMILESO=S1(=O)CC[C@@H](NC[C@@H](O)CO[C@@H]2CCCc3ccccc32)C1
InChIInChI=1S/C17H25NO4S/c19-15(10-18-14-8-9-23(20,21)12-14)11-22-17-7-3-5-13-4-1-2-6-16(13)17/h1-2,4,6,14-15,17-19H,3,5,7-12H2/t14-,15-,17-/m1/s1
InChIKeyFZHKONYHLVEDDV-BFYDXBDKSA-N
MW339.46 g/mol
LogP1.22
Rot. Bonds6

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

(2R)-1-[[(3R)-1,1-dioxothiolan-3-yl]amino]-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol (PubChem CID 25473248) has the molecular formula C17H25NO4S and a molecular weight of 339.46 g/mol. Its IUPAC name is (2R)-1-[[(3R)-1,1-dioxothiolan-3-yl]amino]-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[[(3R)-1,1-dioxothiolan-3-yl]amino]-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol
PubChem CID25473248
Molecular FormulaC17H25NO4S
Molecular Weight339.46 g/mol
Exact Mass339.15
IUPAC Name(2R)-1-[[(3R)-1,1-dioxothiolan-3-yl]amino]-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol
SMILESO=S1(=O)CC[C@@H](NC[C@@H](O)CO[C@@H]2CCCc3ccccc32)C1
InChIInChI=1S/C17H25NO4S/c19-15(10-18-14-8-9-23(20,21)12-14)11-22-17-7-3-5-13-4-1-2-6-16(13)17/h1-2,4,6,14-15,17-19H,3,5,7-12H2/t14-,15-,17-/m1/s1
InChIKeyFZHKONYHLVEDDV-BFYDXBDKSA-N
XLogP1.22
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol
CID 4555077
1-[[3-(1,2-oxazol-3-yl)cyclobutyl]amino]-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol
CID 167774741
(2R)-1-methylsulfonyl-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol
CID 95173175
(2S)-1-(4-methylpiperazin-1-yl)-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol
CID 2121484
(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-[(1,1-dioxothiolan-3-yl)amino]-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 60633977
1-[(1,1-dioxothian-3-yl)amino]-3-(4-methylphenoxy)propan-2-ol
CID 63924316
1-[methyl(propyl)amino]-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol
CID 110909701
(2S)-1-[(2-chlorophenyl)methoxy]-3-[[(3R)-1,1-dioxothiolan-3-yl]amino]propan-2-ol
CID 2093688
(2R)-1-[(2-chlorophenyl)methoxy]-3-[[(3R)-1,1-dioxothiolan-3-yl]amino]propan-2-ol
CID 2093686
(2R)-1-[[(3S)-1,1-dioxothiolan-3-yl]amino]-3-[4-(2-phenylpropan-2-yl)phenoxy]propan-2-ol
CID 6591054
3-[(2R)-2-hydroxy-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 26012304

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[(3R)-1,1-dioxothiolan-3-yl]amino]-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol?
The IUPAC name of (2R)-1-[[(3R)-1,1-dioxothiolan-3-yl]amino]-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol (CID 25473248) is (2R)-1-[[(3R)-1,1-dioxothiolan-3-yl]amino]-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol.
What is the SMILES notation for (2R)-1-[[(3R)-1,1-dioxothiolan-3-yl]amino]-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol?
The canonical SMILES for (2R)-1-[[(3R)-1,1-dioxothiolan-3-yl]amino]-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol is O=S1(=O)CC[C@@H](NC[C@@H](O)CO[C@@H]2CCCc3ccccc32)C1.
What is the InChIKey of (2R)-1-[[(3R)-1,1-dioxothiolan-3-yl]amino]-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol?
The InChIKey is FZHKONYHLVEDDV-BFYDXBDKSA-N. The full InChI is InChI=1S/C17H25NO4S/c19-15(10-18-14-8-9-23(20,21)12-14)11-22-17-7-3-5-13-4-1-2-6-16(13)17/h1-2,4,6,14-15,17-19H,3,5,7-12H2/t14-,15-,17-/m1/s1.
What are the key properties of (2R)-1-[[(3R)-1,1-dioxothiolan-3-yl]amino]-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol?
(2R)-1-[[(3R)-1,1-dioxothiolan-3-yl]amino]-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol has a molecular weight of 339.46 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[(3R)-1,1-dioxothiolan-3-yl]amino]-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol is sourced from PubChem (CID 25473248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).