[(3R)-3-tert-butylsulfonylpyrrolidin-1-yl]-naphthalen-2-ylmethanone

C19H23NO3S — CID 97427288

IUPAC[(3R)-3-tert-butylsulfonylpyrrolidin-1-yl]-naphthalen-2-ylmethanone
SMILESCC(C)(C)S(=O)(=O)[C@@H]1CCN(C(=O)c2ccc3ccccc3c2)C1
InChIInChI=1S/C19H23NO3S/c1-19(2,3)24(22,23)17-10-11-20(13-17)18(21)16-9-8-14-6-4-5-7-15(14)12-16/h4-9,12,17H,10-11,13H2,1-3H3/t17-/m1/s1
InChIKeyQGRRPYRULCRTFS-QGZVFWFLSA-N
MW345.46 g/mol
LogP3.27
Rot. Bonds2

About [(3R)-3-tert-butylsulfonylpyrrolidin-1-yl]-naphthalen-2-ylmethanone

[(3R)-3-tert-butylsulfonylpyrrolidin-1-yl]-naphthalen-2-ylmethanone (PubChem CID 97427288) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is [(3R)-3-tert-butylsulfonylpyrrolidin-1-yl]-naphthalen-2-ylmethanone.

Molecular Properties

Compound Name[(3R)-3-tert-butylsulfonylpyrrolidin-1-yl]-naphthalen-2-ylmethanone
PubChem CID97427288
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC Name[(3R)-3-tert-butylsulfonylpyrrolidin-1-yl]-naphthalen-2-ylmethanone
SMILESCC(C)(C)S(=O)(=O)[C@@H]1CCN(C(=O)c2ccc3ccccc3c2)C1
InChIInChI=1S/C19H23NO3S/c1-19(2,3)24(22,23)17-10-11-20(13-17)18(21)16-9-8-14-6-4-5-7-15(14)12-16/h4-9,12,17H,10-11,13H2,1-3H3/t17-/m1/s1
InChIKeyQGRRPYRULCRTFS-QGZVFWFLSA-N
XLogP3.27
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-3-tert-butylsulfonylpyrrolidin-1-yl]-[4-(3-methoxyphenyl)phenyl]methanone
CID 97427242
[(3S)-3-tert-butylsulfonylpyrrolidin-1-yl]-(4-propylphenyl)methanone
CID 97427224
(3-chloro-4-methylpiperidin-1-yl)-naphthalen-2-ylmethanone
CID 102961716
(3-bromo-4-methylpiperidin-1-yl)-naphthalen-2-ylmethanone
CID 102962324
1-[(3R)-3-tert-butylsulfonylpyrrolidin-1-yl]-3,3-diphenylpropan-1-one
CID 97417143
[3-(aminomethyl)piperidin-1-yl]-naphthalen-2-ylmethanone;hydrochloride
CID 119465103
[4-(fluoromethyl)piperidin-1-yl]-naphthalen-2-ylmethanone
CID 155977046
(4-chlorophenyl)-[(3S)-3-methylsulfonylpyrrolidin-1-yl]methanone
CID 97414892
[4-(3-methylsulfonylpyrrolidine-1-carbonyl)phenyl] acetate
CID 90587045
N-[[(3S)-1-(naphthalene-2-carbonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146211363
[3-(dimethylamino)phenyl]-(3-methylsulfonylpyrrolidin-1-yl)methanone
CID 90584571
1H-indol-6-yl-(3-methylsulfonylpiperidin-1-yl)methanone
CID 167956999

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-tert-butylsulfonylpyrrolidin-1-yl]-naphthalen-2-ylmethanone?
The IUPAC name of [(3R)-3-tert-butylsulfonylpyrrolidin-1-yl]-naphthalen-2-ylmethanone (CID 97427288) is [(3R)-3-tert-butylsulfonylpyrrolidin-1-yl]-naphthalen-2-ylmethanone.
What is the SMILES notation for [(3R)-3-tert-butylsulfonylpyrrolidin-1-yl]-naphthalen-2-ylmethanone?
The canonical SMILES for [(3R)-3-tert-butylsulfonylpyrrolidin-1-yl]-naphthalen-2-ylmethanone is CC(C)(C)S(=O)(=O)[C@@H]1CCN(C(=O)c2ccc3ccccc3c2)C1.
What is the InChIKey of [(3R)-3-tert-butylsulfonylpyrrolidin-1-yl]-naphthalen-2-ylmethanone?
The InChIKey is QGRRPYRULCRTFS-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-19(2,3)24(22,23)17-10-11-20(13-17)18(21)16-9-8-14-6-4-5-7-15(14)12-16/h4-9,12,17H,10-11,13H2,1-3H3/t17-/m1/s1.
What are the key properties of [(3R)-3-tert-butylsulfonylpyrrolidin-1-yl]-naphthalen-2-ylmethanone?
[(3R)-3-tert-butylsulfonylpyrrolidin-1-yl]-naphthalen-2-ylmethanone has a molecular weight of 345.46 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-tert-butylsulfonylpyrrolidin-1-yl]-naphthalen-2-ylmethanone is sourced from PubChem (CID 97427288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).