(3S)-3-(4-fluorophenyl)sulfonyl-2-methylpyrrolidine

C11H14FNO2S — CID 174917383

IUPAC(3S)-3-(4-fluorophenyl)sulfonyl-2-methylpyrrolidine
SMILESCC1NCC[C@@H]1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C11H14FNO2S/c1-8-11(6-7-13-8)16(14,15)10-4-2-9(12)3-5-10/h2-5,8,11,13H,6-7H2,1H3/t8?,11-/m0/s1
InChIKeyWJBHEOAFPZIZLQ-LYNSQETBSA-N
MW243.30 g/mol
LogP1.35
Rot. Bonds2

About (3S)-3-(4-fluorophenyl)sulfonyl-2-methylpyrrolidine

(3S)-3-(4-fluorophenyl)sulfonyl-2-methylpyrrolidine (PubChem CID 174917383) has the molecular formula C11H14FNO2S and a molecular weight of 243.30 g/mol. Its IUPAC name is (3S)-3-(4-fluorophenyl)sulfonyl-2-methylpyrrolidine.

Molecular Properties

Compound Name(3S)-3-(4-fluorophenyl)sulfonyl-2-methylpyrrolidine
PubChem CID174917383
Molecular FormulaC11H14FNO2S
Molecular Weight243.30 g/mol
Exact Mass243.07
IUPAC Name(3S)-3-(4-fluorophenyl)sulfonyl-2-methylpyrrolidine
SMILESCC1NCC[C@@H]1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C11H14FNO2S/c1-8-11(6-7-13-8)16(14,15)10-4-2-9(12)3-5-10/h2-5,8,11,13H,6-7H2,1H3/t8?,11-/m0/s1
InChIKeyWJBHEOAFPZIZLQ-LYNSQETBSA-N
XLogP1.35
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluorophenyl)sulfonyl-2-methylcyclopentan-1-amine
CID 64904071
2-(4-fluorophenyl)sulfonylcyclobutan-1-amine
CID 134203404
3-(4-fluorophenyl)sulfonyl-N,2-dimethylcyclopentan-1-amine
CID 64903866
4-fluoro-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 79043193
2-(4-fluorophenyl)sulfonyl-N-methylcyclohexan-1-amine
CID 64639422
2-[(4-fluorophenyl)sulfonylmethyl]azetidine
CID 115071066
3-(2-fluorophenyl)-2-(4-fluorophenyl)sulfonylpyrrolidine
CID 174375302
cis-(1S,3S)-2-(4-fluorophenyl)sulfonyl-3-methylcyclopentane-1-carboxylic acid
CID 146374926
2-[2-(4-fluorophenyl)sulfonylcyclohexyl]-5-methyl-1,3,4-oxadiazole
CID 23000798
3-(4-fluorophenyl)-2-[4-(methoxymethyl)phenyl]sulfonylpyrrolidine
CID 174374753
1-(4-fluorophenyl)sulfonyl-3-methylpyrrolidine
CID 61224457
(2S,3S)-2-(4-fluorophenyl)-3-methylpyrrolidine
CID 82409458

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-fluorophenyl)sulfonyl-2-methylpyrrolidine?
The IUPAC name of (3S)-3-(4-fluorophenyl)sulfonyl-2-methylpyrrolidine (CID 174917383) is (3S)-3-(4-fluorophenyl)sulfonyl-2-methylpyrrolidine.
What is the SMILES notation for (3S)-3-(4-fluorophenyl)sulfonyl-2-methylpyrrolidine?
The canonical SMILES for (3S)-3-(4-fluorophenyl)sulfonyl-2-methylpyrrolidine is CC1NCC[C@@H]1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of (3S)-3-(4-fluorophenyl)sulfonyl-2-methylpyrrolidine?
The InChIKey is WJBHEOAFPZIZLQ-LYNSQETBSA-N. The full InChI is InChI=1S/C11H14FNO2S/c1-8-11(6-7-13-8)16(14,15)10-4-2-9(12)3-5-10/h2-5,8,11,13H,6-7H2,1H3/t8?,11-/m0/s1.
What are the key properties of (3S)-3-(4-fluorophenyl)sulfonyl-2-methylpyrrolidine?
(3S)-3-(4-fluorophenyl)sulfonyl-2-methylpyrrolidine has a molecular weight of 243.30 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-fluorophenyl)sulfonyl-2-methylpyrrolidine is sourced from PubChem (CID 174917383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).