(2S,4R)-1-tert-butyl-4-(2-chlorophenyl)sulfonyl-2-methylpyrrolidine

C15H22ClNO2S — CID 141361413

IUPAC(2S,4R)-1-tert-butyl-4-(2-chlorophenyl)sulfonyl-2-methylpyrrolidine
SMILESC[C@H]1C[C@@H](S(=O)(=O)c2ccccc2Cl)CN1C(C)(C)C
InChIInChI=1S/C15H22ClNO2S/c1-11-9-12(10-17(11)15(2,3)4)20(18,19)14-8-6-5-7-13(14)16/h5-8,11-12H,9-10H2,1-4H3/t11-,12+/m0/s1
InChIKeyIJUJNXKUTMNOSH-NWDGAFQWSA-N
MW315.87 g/mol
LogP3.38
Rot. Bonds2

About (2S,4R)-1-tert-butyl-4-(2-chlorophenyl)sulfonyl-2-methylpyrrolidine

(2S,4R)-1-tert-butyl-4-(2-chlorophenyl)sulfonyl-2-methylpyrrolidine (PubChem CID 141361413) has the molecular formula C15H22ClNO2S and a molecular weight of 315.87 g/mol. Its IUPAC name is (2S,4R)-1-tert-butyl-4-(2-chlorophenyl)sulfonyl-2-methylpyrrolidine.

Molecular Properties

Compound Name(2S,4R)-1-tert-butyl-4-(2-chlorophenyl)sulfonyl-2-methylpyrrolidine
PubChem CID141361413
Molecular FormulaC15H22ClNO2S
Molecular Weight315.87 g/mol
Exact Mass315.11
IUPAC Name(2S,4R)-1-tert-butyl-4-(2-chlorophenyl)sulfonyl-2-methylpyrrolidine
SMILESC[C@H]1C[C@@H](S(=O)(=O)c2ccccc2Cl)CN1C(C)(C)C
InChIInChI=1S/C15H22ClNO2S/c1-11-9-12(10-17(11)15(2,3)4)20(18,19)14-8-6-5-7-13(14)16/h5-8,11-12H,9-10H2,1-4H3/t11-,12+/m0/s1
InChIKeyIJUJNXKUTMNOSH-NWDGAFQWSA-N
XLogP3.38
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.87
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-O-tert-butyl 2-O-methyl (2S,4R)-4-(2-chlorophenyl)sulfonylpyrrolidine-1,2-dicarboxylate
CID 66770853
trans-(1S,3S)-3-(2-chlorophenyl)sulfonylcyclopentan-1-ol
CID 90107100
(2R,4S)-4-(2-chlorophenyl)sulfonyl-2-(hydrazinecarbonyl)pyrrolidine-1-carboxylic acid
CID 140580366
(2S,4R)-4-(2-chlorophenyl)sulfonyl-1-(oxetan-3-yl)pyrrolidine-2-carboxylic acid
CID 142763114
(2S,4R)-4-(2-chlorophenyl)sulfonyl-1-(1-methylpiperidine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 68500402
4-(2-chlorophenyl)sulfonyl-2,5-dimethylmorpholine
CID 46596057
(3S)-3-(2-chlorophenyl)sulfonylpyrrolidine
CID 67495805
tert-butyl 4-(2-chlorophenyl)sulfonyl-2-(morpholine-4-carbonyl)pyrrolidine-1-carboxylate
CID 77303344
4-(2-chlorophenyl)sulfonylazepane
CID 115070332
methyl (2S,4R)-4-(2-chlorophenyl)sulfonyl-2-[(1-cyanocyclopropyl)carbamoyl]pyrrolidine-1-carboxylate
CID 46947221
4-(2-chlorophenyl)sulfonyl-N-(cyanomethyl)-1-(oxan-4-yl)pyrrolidine-2-carboxamide
CID 75246480
(2S,4R)-4-(2-chlorophenyl)sulfonyl-N-(cyanomethyl)-1-(4-fluorobenzoyl)pyrrolidine-2-carboxamide
CID 59543606

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-tert-butyl-4-(2-chlorophenyl)sulfonyl-2-methylpyrrolidine?
The IUPAC name of (2S,4R)-1-tert-butyl-4-(2-chlorophenyl)sulfonyl-2-methylpyrrolidine (CID 141361413) is (2S,4R)-1-tert-butyl-4-(2-chlorophenyl)sulfonyl-2-methylpyrrolidine.
What is the SMILES notation for (2S,4R)-1-tert-butyl-4-(2-chlorophenyl)sulfonyl-2-methylpyrrolidine?
The canonical SMILES for (2S,4R)-1-tert-butyl-4-(2-chlorophenyl)sulfonyl-2-methylpyrrolidine is C[C@H]1C[C@@H](S(=O)(=O)c2ccccc2Cl)CN1C(C)(C)C.
What is the InChIKey of (2S,4R)-1-tert-butyl-4-(2-chlorophenyl)sulfonyl-2-methylpyrrolidine?
The InChIKey is IJUJNXKUTMNOSH-NWDGAFQWSA-N. The full InChI is InChI=1S/C15H22ClNO2S/c1-11-9-12(10-17(11)15(2,3)4)20(18,19)14-8-6-5-7-13(14)16/h5-8,11-12H,9-10H2,1-4H3/t11-,12+/m0/s1.
What are the key properties of (2S,4R)-1-tert-butyl-4-(2-chlorophenyl)sulfonyl-2-methylpyrrolidine?
(2S,4R)-1-tert-butyl-4-(2-chlorophenyl)sulfonyl-2-methylpyrrolidine has a molecular weight of 315.87 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-tert-butyl-4-(2-chlorophenyl)sulfonyl-2-methylpyrrolidine is sourced from PubChem (CID 141361413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).