(2R,3S)-1-(benzenesulfonyl)-3-methyl-2-(phenylmethoxymethyl)pyrrolidin-3-ol

C19H23NO4S — CID 66933196

IUPAC(2R,3S)-1-(benzenesulfonyl)-3-methyl-2-(phenylmethoxymethyl)pyrrolidin-3-ol
SMILESC[C@]1(O)CCN(S(=O)(=O)c2ccccc2)[C@@H]1COCc1ccccc1
InChIInChI=1S/C19H23NO4S/c1-19(21)12-13-20(25(22,23)17-10-6-3-7-11-17)18(19)15-24-14-16-8-4-2-5-9-16/h2-11,18,21H,12-15H2,1H3/t18-,19+/m1/s1
InChIKeyDEBATKIKIVDRIL-MOPGFXCFSA-N
MW361.46 g/mol
LogP2.42
Rot. Bonds6

About (2R,3S)-1-(benzenesulfonyl)-3-methyl-2-(phenylmethoxymethyl)pyrrolidin-3-ol

(2R,3S)-1-(benzenesulfonyl)-3-methyl-2-(phenylmethoxymethyl)pyrrolidin-3-ol (PubChem CID 66933196) has the molecular formula C19H23NO4S and a molecular weight of 361.46 g/mol. Its IUPAC name is (2R,3S)-1-(benzenesulfonyl)-3-methyl-2-(phenylmethoxymethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(2R,3S)-1-(benzenesulfonyl)-3-methyl-2-(phenylmethoxymethyl)pyrrolidin-3-ol
PubChem CID66933196
Molecular FormulaC19H23NO4S
Molecular Weight361.46 g/mol
Exact Mass361.13
IUPAC Name(2R,3S)-1-(benzenesulfonyl)-3-methyl-2-(phenylmethoxymethyl)pyrrolidin-3-ol
SMILESC[C@]1(O)CCN(S(=O)(=O)c2ccccc2)[C@@H]1COCc1ccccc1
InChIInChI=1S/C19H23NO4S/c1-19(21)12-13-20(25(22,23)17-10-6-3-7-11-17)18(19)15-24-14-16-8-4-2-5-9-16/h2-11,18,21H,12-15H2,1H3/t18-,19+/m1/s1
InChIKeyDEBATKIKIVDRIL-MOPGFXCFSA-N
XLogP2.42
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-1-(benzenesulfonyl)-3-methyl-2-(phenylmethoxymethyl)pyrrolidin-3-ol?
The IUPAC name of (2R,3S)-1-(benzenesulfonyl)-3-methyl-2-(phenylmethoxymethyl)pyrrolidin-3-ol (CID 66933196) is (2R,3S)-1-(benzenesulfonyl)-3-methyl-2-(phenylmethoxymethyl)pyrrolidin-3-ol.
What is the SMILES notation for (2R,3S)-1-(benzenesulfonyl)-3-methyl-2-(phenylmethoxymethyl)pyrrolidin-3-ol?
The canonical SMILES for (2R,3S)-1-(benzenesulfonyl)-3-methyl-2-(phenylmethoxymethyl)pyrrolidin-3-ol is C[C@]1(O)CCN(S(=O)(=O)c2ccccc2)[C@@H]1COCc1ccccc1.
What is the InChIKey of (2R,3S)-1-(benzenesulfonyl)-3-methyl-2-(phenylmethoxymethyl)pyrrolidin-3-ol?
The InChIKey is DEBATKIKIVDRIL-MOPGFXCFSA-N. The full InChI is InChI=1S/C19H23NO4S/c1-19(21)12-13-20(25(22,23)17-10-6-3-7-11-17)18(19)15-24-14-16-8-4-2-5-9-16/h2-11,18,21H,12-15H2,1H3/t18-,19+/m1/s1.
What are the key properties of (2R,3S)-1-(benzenesulfonyl)-3-methyl-2-(phenylmethoxymethyl)pyrrolidin-3-ol?
(2R,3S)-1-(benzenesulfonyl)-3-methyl-2-(phenylmethoxymethyl)pyrrolidin-3-ol has a molecular weight of 361.46 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-1-(benzenesulfonyl)-3-methyl-2-(phenylmethoxymethyl)pyrrolidin-3-ol is sourced from PubChem (CID 66933196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).