(3R)-3-[[(2S)-2-naphthalen-1-ylpyrrolidin-1-yl]methyl]thiolane 1,1-dioxide

C19H23NO2S — CID 124737839

IUPAC(3R)-3-[[(2S)-2-naphthalen-1-ylpyrrolidin-1-yl]methyl]thiolane 1,1-dioxide
SMILESO=S1(=O)CC[C@H](CN2CCC[C@H]2c2cccc3ccccc23)C1
InChIInChI=1S/C19H23NO2S/c21-23(22)12-10-15(14-23)13-20-11-4-9-19(20)18-8-3-6-16-5-1-2-7-17(16)18/h1-3,5-8,15,19H,4,9-14H2/t15-,19+/m1/s1
InChIKeyQIPOMEWJDGAHKO-BEFAXECRSA-N
MW329.46 g/mol
LogP3.41
Rot. Bonds3

About (3R)-3-[[(2S)-2-naphthalen-1-ylpyrrolidin-1-yl]methyl]thiolane 1,1-dioxide

(3R)-3-[[(2S)-2-naphthalen-1-ylpyrrolidin-1-yl]methyl]thiolane 1,1-dioxide (PubChem CID 124737839) has the molecular formula C19H23NO2S and a molecular weight of 329.46 g/mol. Its IUPAC name is (3R)-3-[[(2S)-2-naphthalen-1-ylpyrrolidin-1-yl]methyl]thiolane 1,1-dioxide.

Molecular Properties

Compound Name(3R)-3-[[(2S)-2-naphthalen-1-ylpyrrolidin-1-yl]methyl]thiolane 1,1-dioxide
PubChem CID124737839
Molecular FormulaC19H23NO2S
Molecular Weight329.46 g/mol
Exact Mass329.14
IUPAC Name(3R)-3-[[(2S)-2-naphthalen-1-ylpyrrolidin-1-yl]methyl]thiolane 1,1-dioxide
SMILESO=S1(=O)CC[C@H](CN2CCC[C@H]2c2cccc3ccccc23)C1
InChIInChI=1S/C19H23NO2S/c21-23(22)12-10-15(14-23)13-20-11-4-9-19(20)18-8-3-6-16-5-1-2-7-17(16)18/h1-3,5-8,15,19H,4,9-14H2/t15-,19+/m1/s1
InChIKeyQIPOMEWJDGAHKO-BEFAXECRSA-N
XLogP3.41
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.46
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Sdccgsbi-0662922.P001
CID 134788118
(3S)-N-(naphthalen-1-ylmethyl)-1,1-dioxothiolan-3-amine
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(4aS*,7aR*)-1-[(5-methyl-1-naphthyl)methyl]-4-propyloctahydrothieno[3,4-b]pyrazine 6,6-dioxide
CID 70712057
(4aR*,7aS*)-1-(3-methyl-2-buten-1-yl)-4-(1-naphthylmethyl)octahydrothieno[3,4-b]pyrazine 6,6-dioxide
CID 70772399
1-[(1R,2R)-3-tert-butylsulfonyl-2-methyl-1-phenylpropyl]pyrrolidine
CID 15936774
N-[1-(4-fluoronaphthalen-1-yl)-2-methylsulfonylethyl]propan-1-amine
CID 64139741
(1,1-Dioxothiolan-3-yl)-(4-fluoronaphthalen-1-yl)methanamine
CID 64906194
1-(1,1-dioxothiolan-3-yl)-1-(4-fluoronaphthalen-1-yl)-N-methylmethanamine
CID 64906195
N-ethyl-1-(4-fluoronaphthalen-1-yl)-2-methylsulfonylpropan-1-amine
CID 104518881
(3S,3aS,6aR)-5-[(1-fluoronaphthalen-2-yl)methyl]-1,1-dioxo-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine
CID 166274695
N,N-dimethyl-3-naphthalen-2-yl-1,1-dioxothietan-3-amine
CID 326537

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[(2S)-2-naphthalen-1-ylpyrrolidin-1-yl]methyl]thiolane 1,1-dioxide?
The IUPAC name of (3R)-3-[[(2S)-2-naphthalen-1-ylpyrrolidin-1-yl]methyl]thiolane 1,1-dioxide (CID 124737839) is (3R)-3-[[(2S)-2-naphthalen-1-ylpyrrolidin-1-yl]methyl]thiolane 1,1-dioxide.
What is the SMILES notation for (3R)-3-[[(2S)-2-naphthalen-1-ylpyrrolidin-1-yl]methyl]thiolane 1,1-dioxide?
The canonical SMILES for (3R)-3-[[(2S)-2-naphthalen-1-ylpyrrolidin-1-yl]methyl]thiolane 1,1-dioxide is O=S1(=O)CC[C@H](CN2CCC[C@H]2c2cccc3ccccc23)C1.
What is the InChIKey of (3R)-3-[[(2S)-2-naphthalen-1-ylpyrrolidin-1-yl]methyl]thiolane 1,1-dioxide?
The InChIKey is QIPOMEWJDGAHKO-BEFAXECRSA-N. The full InChI is InChI=1S/C19H23NO2S/c21-23(22)12-10-15(14-23)13-20-11-4-9-19(20)18-8-3-6-16-5-1-2-7-17(16)18/h1-3,5-8,15,19H,4,9-14H2/t15-,19+/m1/s1.
What are the key properties of (3R)-3-[[(2S)-2-naphthalen-1-ylpyrrolidin-1-yl]methyl]thiolane 1,1-dioxide?
(3R)-3-[[(2S)-2-naphthalen-1-ylpyrrolidin-1-yl]methyl]thiolane 1,1-dioxide has a molecular weight of 329.46 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[(2S)-2-naphthalen-1-ylpyrrolidin-1-yl]methyl]thiolane 1,1-dioxide is sourced from PubChem (CID 124737839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).