(3R)-1-benzyl-3-(4-fluorophenyl)sulfinyl-3-(4-methylphenyl)pyrrolidine

C24H24FNOS — CID 144882442

IUPAC(3R)-1-benzyl-3-(4-fluorophenyl)sulfinyl-3-(4-methylphenyl)pyrrolidine
SMILESCc1ccc([C@]2(S(=O)c3ccc(F)cc3)CCN(Cc3ccccc3)C2)cc1
InChIInChI=1S/C24H24FNOS/c1-19-7-9-21(10-8-19)24(28(27)23-13-11-22(25)12-14-23)15-16-26(18-24)17-20-5-3-2-4-6-20/h2-14H,15-18H2,1H3/t24-,28?/m0/s1
InChIKeyUZIWCWJFZUCRPH-ZZDYIDRTSA-N
MW393.53 g/mol
LogP5.04
Rot. Bonds5

About (3R)-1-benzyl-3-(4-fluorophenyl)sulfinyl-3-(4-methylphenyl)pyrrolidine

(3R)-1-benzyl-3-(4-fluorophenyl)sulfinyl-3-(4-methylphenyl)pyrrolidine (PubChem CID 144882442) has the molecular formula C24H24FNOS and a molecular weight of 393.53 g/mol. Its IUPAC name is (3R)-1-benzyl-3-(4-fluorophenyl)sulfinyl-3-(4-methylphenyl)pyrrolidine.

Molecular Properties

Compound Name(3R)-1-benzyl-3-(4-fluorophenyl)sulfinyl-3-(4-methylphenyl)pyrrolidine
PubChem CID144882442
Molecular FormulaC24H24FNOS
Molecular Weight393.53 g/mol
Exact Mass393.16
IUPAC Name(3R)-1-benzyl-3-(4-fluorophenyl)sulfinyl-3-(4-methylphenyl)pyrrolidine
SMILESCc1ccc([C@]2(S(=O)c3ccc(F)cc3)CCN(Cc3ccccc3)C2)cc1
InChIInChI=1S/C24H24FNOS/c1-19-7-9-21(10-8-19)24(28(27)23-13-11-22(25)12-14-23)15-16-26(18-24)17-20-5-3-2-4-6-20/h2-14H,15-18H2,1H3/t24-,28?/m0/s1
InChIKeyUZIWCWJFZUCRPH-ZZDYIDRTSA-N
XLogP5.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.53
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(4-fluorophenyl)sulfinylcyclopentyl]-4-methylbenzene
CID 144882179
3-[(4-fluorophenyl)methyl]-9-[(4-methylphenyl)methyl]-3,9-diazaspiro[5.5]undecane
CID 97370656
1-benzyl-4-(4-fluorophenyl)piperidin-4-ol;hydrochloride
CID 71627119
1-benzyl-3-(4-fluorophenyl)piperidin-3-ol;hydrochloride
CID 139758416
8-benzyl-4-(4-fluorophenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one
CID 12832700
cyclohexyl-[(3R)-3-[4-(2,6-difluorophenyl)phenyl]-3-(4-fluorophenyl)sulfinylpyrrolidin-1-yl]methanone
CID 134374259
8-benzyl-3-(4-fluorophenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene
CID 162674490
4-(4-fluorophenyl)-1-[[4-(4-fluorophenyl)phenyl]methyl]-N'-phenylpiperidine-4-carbohydrazide
CID 90830849
2-benzyl-6-(4-methylphenyl)-2,8-diazaspiro[4.5]decane
CID 113247774
4-[(3R)-3-(4-fluorophenyl)sulfinyl-3-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]pyrrolidin-1-yl]-4-oxobutanoic acid
CID 134374325
1-benzyl-4-[3-[4-[2-[(2,6-difluorophenyl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-3-(4-fluorophenyl)sulfinylcyclobutyl]piperazine
CID 144882192
1-[(4-fluorophenyl)methyl]-3-methylpyrrolidin-3-ol
CID 103728801

Frequently Asked Questions

What is the IUPAC name of (3R)-1-benzyl-3-(4-fluorophenyl)sulfinyl-3-(4-methylphenyl)pyrrolidine?
The IUPAC name of (3R)-1-benzyl-3-(4-fluorophenyl)sulfinyl-3-(4-methylphenyl)pyrrolidine (CID 144882442) is (3R)-1-benzyl-3-(4-fluorophenyl)sulfinyl-3-(4-methylphenyl)pyrrolidine.
What is the SMILES notation for (3R)-1-benzyl-3-(4-fluorophenyl)sulfinyl-3-(4-methylphenyl)pyrrolidine?
The canonical SMILES for (3R)-1-benzyl-3-(4-fluorophenyl)sulfinyl-3-(4-methylphenyl)pyrrolidine is Cc1ccc([C@]2(S(=O)c3ccc(F)cc3)CCN(Cc3ccccc3)C2)cc1.
What is the InChIKey of (3R)-1-benzyl-3-(4-fluorophenyl)sulfinyl-3-(4-methylphenyl)pyrrolidine?
The InChIKey is UZIWCWJFZUCRPH-ZZDYIDRTSA-N. The full InChI is InChI=1S/C24H24FNOS/c1-19-7-9-21(10-8-19)24(28(27)23-13-11-22(25)12-14-23)15-16-26(18-24)17-20-5-3-2-4-6-20/h2-14H,15-18H2,1H3/t24-,28?/m0/s1.
What are the key properties of (3R)-1-benzyl-3-(4-fluorophenyl)sulfinyl-3-(4-methylphenyl)pyrrolidine?
(3R)-1-benzyl-3-(4-fluorophenyl)sulfinyl-3-(4-methylphenyl)pyrrolidine has a molecular weight of 393.53 g/mol, XLogP of 5.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-benzyl-3-(4-fluorophenyl)sulfinyl-3-(4-methylphenyl)pyrrolidine is sourced from PubChem (CID 144882442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).