1-[(1S)-2-[(S)-methylsulfinyl]-1-phenylethyl]pyrrolidine

C13H19NOS — CID 10657531

IUPAC1-[(1S)-2-[(S)-methylsulfinyl]-1-phenylethyl]pyrrolidine
SMILESC[S@](=O)C[C@H](c1ccccc1)N1CCCC1
InChIInChI=1S/C13H19NOS/c1-16(15)11-13(14-9-5-6-10-14)12-7-3-2-4-8-12/h2-4,7-8,13H,5-6,9-11H2,1H3/t13-,16+/m1/s1
InChIKeyOPZFYYLAWCGRDF-CJNGLKHVSA-N
MW237.37 g/mol
LogP2.20
Rot. Bonds4

About 1-[(1S)-2-[(S)-methylsulfinyl]-1-phenylethyl]pyrrolidine

1-[(1S)-2-[(S)-methylsulfinyl]-1-phenylethyl]pyrrolidine (PubChem CID 10657531) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is 1-[(1S)-2-[(S)-methylsulfinyl]-1-phenylethyl]pyrrolidine.

Molecular Properties

Compound Name1-[(1S)-2-[(S)-methylsulfinyl]-1-phenylethyl]pyrrolidine
PubChem CID10657531
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name1-[(1S)-2-[(S)-methylsulfinyl]-1-phenylethyl]pyrrolidine
SMILESC[S@](=O)C[C@H](c1ccccc1)N1CCCC1
InChIInChI=1S/C13H19NOS/c1-16(15)11-13(14-9-5-6-10-14)12-7-3-2-4-8-12/h2-4,7-8,13H,5-6,9-11H2,1H3/t13-,16+/m1/s1
InChIKeyOPZFYYLAWCGRDF-CJNGLKHVSA-N
XLogP2.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-1-phenylpropyl]azepane
CID 97315480
1-(2-methoxy-1-phenylethyl)pyrrolidine
CID 59124240
1-(3-methyl-1-phenylbutyl)piperidine
CID 3056530
1-(3,3-dimethyl-1-phenylbutyl)pyrrolidine
CID 58442316
1-[(1S)-3-methyl-1-phenylbutyl]piperidine
CID 92967702
N-ethyl-2-phenyl-2-pyrrolidin-1-ylethanamine
CID 43180882
3-phenyl-3-pyrrolidin-1-ylpropan-1-ol
CID 83936530
N-(2-phenyl-2-pyrrolidin-1-ylethyl)propan-1-amine
CID 43202060
lithium 1-(1-phenylbutyl)piperidine
CID 87565541
1-(2-phenoxy-1-phenylethyl)pyrrolidine chloride
CID 21228853
(2S)-2-amino-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide;dihydrochloride
CID 119831434
1-[(1R)-2-(4-methylphenyl)sulfonyl-1-phenylethyl]piperidine
CID 892041

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-2-[(S)-methylsulfinyl]-1-phenylethyl]pyrrolidine?
The IUPAC name of 1-[(1S)-2-[(S)-methylsulfinyl]-1-phenylethyl]pyrrolidine (CID 10657531) is 1-[(1S)-2-[(S)-methylsulfinyl]-1-phenylethyl]pyrrolidine.
What is the SMILES notation for 1-[(1S)-2-[(S)-methylsulfinyl]-1-phenylethyl]pyrrolidine?
The canonical SMILES for 1-[(1S)-2-[(S)-methylsulfinyl]-1-phenylethyl]pyrrolidine is C[S@](=O)C[C@H](c1ccccc1)N1CCCC1.
What is the InChIKey of 1-[(1S)-2-[(S)-methylsulfinyl]-1-phenylethyl]pyrrolidine?
The InChIKey is OPZFYYLAWCGRDF-CJNGLKHVSA-N. The full InChI is InChI=1S/C13H19NOS/c1-16(15)11-13(14-9-5-6-10-14)12-7-3-2-4-8-12/h2-4,7-8,13H,5-6,9-11H2,1H3/t13-,16+/m1/s1.
What are the key properties of 1-[(1S)-2-[(S)-methylsulfinyl]-1-phenylethyl]pyrrolidine?
1-[(1S)-2-[(S)-methylsulfinyl]-1-phenylethyl]pyrrolidine has a molecular weight of 237.37 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-2-[(S)-methylsulfinyl]-1-phenylethyl]pyrrolidine is sourced from PubChem (CID 10657531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).