(2R)-1-[(S)-tert-butylsulfinyl]-2-phenylpyrrolidine

C14H21NOS — CID 11242184

IUPAC(2R)-1-[(S)-tert-butylsulfinyl]-2-phenylpyrrolidine
SMILESCC(C)(C)[S@](=O)N1CCC[C@@H]1c1ccccc1
InChIInChI=1S/C14H21NOS/c1-14(2,3)17(16)15-11-7-10-13(15)12-8-5-4-6-9-12/h4-6,8-9,13H,7,10-11H2,1-3H3/t13-,17+/m1/s1
InChIKeyVMJKXCDBADVWLN-DYVFJYSZSA-N
MW251.40 g/mol
LogP3.29
Rot. Bonds2

About (2R)-1-[(S)-tert-butylsulfinyl]-2-phenylpyrrolidine

(2R)-1-[(S)-tert-butylsulfinyl]-2-phenylpyrrolidine (PubChem CID 11242184) has the molecular formula C14H21NOS and a molecular weight of 251.40 g/mol. Its IUPAC name is (2R)-1-[(S)-tert-butylsulfinyl]-2-phenylpyrrolidine.

Molecular Properties

Compound Name(2R)-1-[(S)-tert-butylsulfinyl]-2-phenylpyrrolidine
PubChem CID11242184
Molecular FormulaC14H21NOS
Molecular Weight251.40 g/mol
Exact Mass251.13
IUPAC Name(2R)-1-[(S)-tert-butylsulfinyl]-2-phenylpyrrolidine
SMILESCC(C)(C)[S@](=O)N1CCC[C@@H]1c1ccccc1
InChIInChI=1S/C14H21NOS/c1-14(2,3)17(16)15-11-7-10-13(15)12-8-5-4-6-9-12/h4-6,8-9,13H,7,10-11H2,1-3H3/t13-,17+/m1/s1
InChIKeyVMJKXCDBADVWLN-DYVFJYSZSA-N
XLogP3.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 53.29
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-(4-fluorophenyl)pyrrolidine
CID 46188853
1-[(S)-tert-butylsulfinyl]-2-(2-fluorophenyl)pyrrolidine
CID 171036245
(2R)-1-[(R)-tert-butylsulfinyl]-2-(4-methoxyphenyl)piperidine
CID 164673653
(2R)-1-tert-butylsulfinyl-2-thiophen-2-ylpyrrolidine
CID 67330407
(2R)-1-[(R)-tert-butylsulfinyl]-2-[3-(difluoromethoxy)phenyl]pyrrolidine
CID 178095116
3-[(2R)-1-tert-butylsulfinylpyrrolidin-2-yl]-1,2-benzoxazole
CID 71728991
(2R)-1-[(S)-tert-butylsulfinyl]-2-phenylpiperidine;(2S)-1-[(S)-tert-butylsulfinyl]-2-phenylpiperidine;bis((S)-N-(5-chloro-1-phenylpentylidene)-2-methylpropane-2-sulfinamide);ethane
CID 158066930
(2S)-1-tert-butyl-2-phenylpyrrolidine;(2R)-1-tert-butyl-2-phenylpyrrolidine
CID 163924303
ethane;1-ethyl-2-phenylpyrrolidine
CID 177062481
tert-butyl (2S)-2-phenylpyrrolidine-1-carboxylate
CID 10999368
2-methyl-2-(2-phenylpyrrolidin-1-yl)propan-1-amine
CID 104523147

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(S)-tert-butylsulfinyl]-2-phenylpyrrolidine?
The IUPAC name of (2R)-1-[(S)-tert-butylsulfinyl]-2-phenylpyrrolidine (CID 11242184) is (2R)-1-[(S)-tert-butylsulfinyl]-2-phenylpyrrolidine.
What is the SMILES notation for (2R)-1-[(S)-tert-butylsulfinyl]-2-phenylpyrrolidine?
The canonical SMILES for (2R)-1-[(S)-tert-butylsulfinyl]-2-phenylpyrrolidine is CC(C)(C)[S@](=O)N1CCC[C@@H]1c1ccccc1.
What is the InChIKey of (2R)-1-[(S)-tert-butylsulfinyl]-2-phenylpyrrolidine?
The InChIKey is VMJKXCDBADVWLN-DYVFJYSZSA-N. The full InChI is InChI=1S/C14H21NOS/c1-14(2,3)17(16)15-11-7-10-13(15)12-8-5-4-6-9-12/h4-6,8-9,13H,7,10-11H2,1-3H3/t13-,17+/m1/s1.
What are the key properties of (2R)-1-[(S)-tert-butylsulfinyl]-2-phenylpyrrolidine?
(2R)-1-[(S)-tert-butylsulfinyl]-2-phenylpyrrolidine has a molecular weight of 251.40 g/mol, XLogP of 3.29, 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-phenylpyrrolidine is sourced from PubChem (CID 11242184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).