(2R)-1-[(S)-tert-butylsulfinyl]-2-(4-fluorophenyl)pyrrolidine

C14H20FNOS — CID 46188853

IUPAC(2R)-1-[(S)-tert-butylsulfinyl]-2-(4-fluorophenyl)pyrrolidine
SMILESCC(C)(C)[S@](=O)N1CCC[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C14H20FNOS/c1-14(2,3)18(17)16-10-4-5-13(16)11-6-8-12(15)9-7-11/h6-9,13H,4-5,10H2,1-3H3/t13-,18+/m1/s1
InChIKeySOHDPWOODHXWCS-ACJLOTCBSA-N
MW269.38 g/mol
LogP3.42
Rot. Bonds2

About (2R)-1-[(S)-tert-butylsulfinyl]-2-(4-fluorophenyl)pyrrolidine

(2R)-1-[(S)-tert-butylsulfinyl]-2-(4-fluorophenyl)pyrrolidine (PubChem CID 46188853) has the molecular formula C14H20FNOS and a molecular weight of 269.38 g/mol. Its IUPAC name is (2R)-1-[(S)-tert-butylsulfinyl]-2-(4-fluorophenyl)pyrrolidine.

Molecular Properties

Compound Name(2R)-1-[(S)-tert-butylsulfinyl]-2-(4-fluorophenyl)pyrrolidine
PubChem CID46188853
Molecular FormulaC14H20FNOS
Molecular Weight269.38 g/mol
Exact Mass269.12
IUPAC Name(2R)-1-[(S)-tert-butylsulfinyl]-2-(4-fluorophenyl)pyrrolidine
SMILESCC(C)(C)[S@](=O)N1CCC[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C14H20FNOS/c1-14(2,3)18(17)16-10-4-5-13(16)11-6-8-12(15)9-7-11/h6-9,13H,4-5,10H2,1-3H3/t13-,18+/m1/s1
InChIKeySOHDPWOODHXWCS-ACJLOTCBSA-N
XLogP3.42
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-1-[(S)-tert-butylsulfinyl]-2-phenylpyrrolidine
CID 71059937
(2R)-1-[(S)-tert-butylsulfinyl]-2-phenylpyrrolidine
CID 11242184
(2R)-2-(4-fluorophenyl)-1-(2-methylpropylsulfinyl)pyrrolidine
CID 67329832
1-[(S)-tert-butylsulfinyl]-2-(2-fluorophenyl)pyrrolidine
CID 171036245
(2R)-1-tert-butylsulfinyl-2-thiophen-2-ylpyrrolidine
CID 67330407
(2R)-1-[(R)-tert-butylsulfinyl]-2-[3-(difluoromethoxy)phenyl]pyrrolidine
CID 178095116
(2R)-2-(4-fluorophenyl)pyrrolidine-1-carbaldehyde
CID 124501094
(2R)-1-(4-tert-butylphenyl)sulfonyl-2-(4-fluorophenyl)pyrrolidine
CID 51856123
3-[(2R)-1-tert-butylsulfinylpyrrolidin-2-yl]-1,2-benzoxazole
CID 71728991
2-(4-fluorophenyl)-1-propylpyrrolidine
CID 102544448
(2S)-2-(4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidine
CID 94616401
1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 50747022

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(S)-tert-butylsulfinyl]-2-(4-fluorophenyl)pyrrolidine?
The IUPAC name of (2R)-1-[(S)-tert-butylsulfinyl]-2-(4-fluorophenyl)pyrrolidine (CID 46188853) is (2R)-1-[(S)-tert-butylsulfinyl]-2-(4-fluorophenyl)pyrrolidine.
What is the SMILES notation for (2R)-1-[(S)-tert-butylsulfinyl]-2-(4-fluorophenyl)pyrrolidine?
The canonical SMILES for (2R)-1-[(S)-tert-butylsulfinyl]-2-(4-fluorophenyl)pyrrolidine is CC(C)(C)[S@](=O)N1CCC[C@@H]1c1ccc(F)cc1.
What is the InChIKey of (2R)-1-[(S)-tert-butylsulfinyl]-2-(4-fluorophenyl)pyrrolidine?
The InChIKey is SOHDPWOODHXWCS-ACJLOTCBSA-N. The full InChI is InChI=1S/C14H20FNOS/c1-14(2,3)18(17)16-10-4-5-13(16)11-6-8-12(15)9-7-11/h6-9,13H,4-5,10H2,1-3H3/t13-,18+/m1/s1.
What are the key properties of (2R)-1-[(S)-tert-butylsulfinyl]-2-(4-fluorophenyl)pyrrolidine?
(2R)-1-[(S)-tert-butylsulfinyl]-2-(4-fluorophenyl)pyrrolidine has a molecular weight of 269.38 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(S)-tert-butylsulfinyl]-2-(4-fluorophenyl)pyrrolidine is sourced from PubChem (CID 46188853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).