(2S,3S)-1-(4-methylphenyl)sulfonyl-3-phenylpyrrolidin-2-ol

C17H19NO3S — CID 11067091

IUPAC(2S,3S)-1-(4-methylphenyl)sulfonyl-3-phenylpyrrolidin-2-ol
SMILESCc1ccc(S(=O)(=O)N2CC[C@@H](c3ccccc3)[C@@H]2O)cc1
InChIInChI=1S/C17H19NO3S/c1-13-7-9-15(10-8-13)22(20,21)18-12-11-16(17(18)19)14-5-3-2-4-6-14/h2-10,16-17,19H,11-12H2,1H3/t16-,17-/m0/s1
InChIKeyFWSPNNMYCKFTDC-IRXDYDNUSA-N
MW317.41 g/mol
LogP2.49
Rot. Bonds3

About (2S,3S)-1-(4-methylphenyl)sulfonyl-3-phenylpyrrolidin-2-ol

(2S,3S)-1-(4-methylphenyl)sulfonyl-3-phenylpyrrolidin-2-ol (PubChem CID 11067091) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is (2S,3S)-1-(4-methylphenyl)sulfonyl-3-phenylpyrrolidin-2-ol.

Molecular Properties

Compound Name(2S,3S)-1-(4-methylphenyl)sulfonyl-3-phenylpyrrolidin-2-ol
PubChem CID11067091
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC Name(2S,3S)-1-(4-methylphenyl)sulfonyl-3-phenylpyrrolidin-2-ol
SMILESCc1ccc(S(=O)(=O)N2CC[C@@H](c3ccccc3)[C@@H]2O)cc1
InChIInChI=1S/C17H19NO3S/c1-13-7-9-15(10-8-13)22(20,21)18-12-11-16(17(18)19)14-5-3-2-4-6-14/h2-10,16-17,19H,11-12H2,1H3/t16-,17-/m0/s1
InChIKeyFWSPNNMYCKFTDC-IRXDYDNUSA-N
XLogP2.49
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3R)-2-ethenyl-1-(4-methylphenyl)sulfonyl-3-phenylpyrrolidine
CID 162399175
(2S)-1-(4-methylphenyl)sulfonyl-2-phenylazetidine
CID 16731480
3-methyl-1-(4-methylphenyl)sulfonylpyrrolidin-2-ol
CID 11777132
4-chloro-1-(4-methylphenyl)sulfonyl-2-phenylpiperidine
CID 75025080
1,3-bis-(4-methylphenyl)sulfonyl-4-phenyl-1,3-diazinane
CID 164682661
1-(4-methylphenyl)sulfonyl-2-phenylaziridine
CID 576319
1,4-bis-(4-methylphenyl)sulfonyl-2-phenyl-3-propan-2-ylidenepiperazine
CID 134851505
1-(4-methylphenyl)sulfonyl-2-phenylpyrrolidin-3-one
CID 86002564
(3aS,6S,6aR)-4-benzyl-1-(4-methylphenyl)sulfonyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-6-ol
CID 10981579
(2R,3S)-1-(4-methylphenyl)sulfonyl-2-phenylpiperidine-3-carboxamide
CID 132918406
(2S,6R)-3-(4-methylphenyl)sulfonyl-6-phenyl-2-propyl-1,3-oxazinane
CID 102081459
(R)-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-phenylmethanol
CID 11659970

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-1-(4-methylphenyl)sulfonyl-3-phenylpyrrolidin-2-ol?
The IUPAC name of (2S,3S)-1-(4-methylphenyl)sulfonyl-3-phenylpyrrolidin-2-ol (CID 11067091) is (2S,3S)-1-(4-methylphenyl)sulfonyl-3-phenylpyrrolidin-2-ol.
What is the SMILES notation for (2S,3S)-1-(4-methylphenyl)sulfonyl-3-phenylpyrrolidin-2-ol?
The canonical SMILES for (2S,3S)-1-(4-methylphenyl)sulfonyl-3-phenylpyrrolidin-2-ol is Cc1ccc(S(=O)(=O)N2CC[C@@H](c3ccccc3)[C@@H]2O)cc1.
What is the InChIKey of (2S,3S)-1-(4-methylphenyl)sulfonyl-3-phenylpyrrolidin-2-ol?
The InChIKey is FWSPNNMYCKFTDC-IRXDYDNUSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-13-7-9-15(10-8-13)22(20,21)18-12-11-16(17(18)19)14-5-3-2-4-6-14/h2-10,16-17,19H,11-12H2,1H3/t16-,17-/m0/s1.
What are the key properties of (2S,3S)-1-(4-methylphenyl)sulfonyl-3-phenylpyrrolidin-2-ol?
(2S,3S)-1-(4-methylphenyl)sulfonyl-3-phenylpyrrolidin-2-ol has a molecular weight of 317.41 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-1-(4-methylphenyl)sulfonyl-3-phenylpyrrolidin-2-ol is sourced from PubChem (CID 11067091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).