(2R)-1-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]propan-2-ol

C14H21NO3S — CID 102214953

IUPAC(2R)-1-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]propan-2-ol
SMILESCc1ccc(S(=O)(=O)N2CCC[C@H]2C[C@@H](C)O)cc1
InChIInChI=1S/C14H21NO3S/c1-11-5-7-14(8-6-11)19(17,18)15-9-3-4-13(15)10-12(2)16/h5-8,12-13,16H,3-4,9-10H2,1-2H3/t12-,13+/m1/s1
InChIKeyUWMDKMYBKRGPES-OLZOCXBDSA-N
MW283.39 g/mol
LogP1.92
Rot. Bonds4

About (2R)-1-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]propan-2-ol

(2R)-1-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]propan-2-ol (PubChem CID 102214953) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is (2R)-1-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]propan-2-ol
PubChem CID102214953
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name(2R)-1-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]propan-2-ol
SMILESCc1ccc(S(=O)(=O)N2CCC[C@H]2C[C@@H](C)O)cc1
InChIInChI=1S/C14H21NO3S/c1-11-5-7-14(8-6-11)19(17,18)15-9-3-4-13(15)10-12(2)16/h5-8,12-13,16H,3-4,9-10H2,1-2H3/t12-,13+/m1/s1
InChIKeyUWMDKMYBKRGPES-OLZOCXBDSA-N
XLogP1.92
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]propan-2-ol
CID 79546057
(2R)-2-butyl-1-(4-methylphenyl)sulfonylpyrrolidine
CID 101030218
2-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]ethyl 4-methylbenzenesulfonate
CID 59042580
(2S)-1-(4-methylphenyl)sulfonyl-2-[2-[2-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]ethoxymethoxy]ethyl]pyrrolidine
CID 171349964
(2R)-2-(iodomethyl)-1-(4-methylphenyl)sulfonylpiperidine
CID 15038479
(2S)-2-(azidomethyl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 23986304
(2S)-1-(4-methylphenyl)sulfonyl-2-prop-2-enylpiperidine
CID 101399954
1-[1-(4-fluoro-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]propan-2-ol
CID 107328244
1-(1-pyridin-3-ylsulfonylpiperidin-2-yl)propan-2-ol
CID 79538362
[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl propanoate
CID 140981307
N-[[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]benzamide
CID 7286245
2-butyl-1-(4-methylphenyl)sulfonylpiperidine
CID 177451088

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]propan-2-ol?
The IUPAC name of (2R)-1-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]propan-2-ol (CID 102214953) is (2R)-1-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]propan-2-ol?
The canonical SMILES for (2R)-1-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]propan-2-ol is Cc1ccc(S(=O)(=O)N2CCC[C@H]2C[C@@H](C)O)cc1.
What is the InChIKey of (2R)-1-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]propan-2-ol?
The InChIKey is UWMDKMYBKRGPES-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-11-5-7-14(8-6-11)19(17,18)15-9-3-4-13(15)10-12(2)16/h5-8,12-13,16H,3-4,9-10H2,1-2H3/t12-,13+/m1/s1.
What are the key properties of (2R)-1-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]propan-2-ol?
(2R)-1-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]propan-2-ol has a molecular weight of 283.39 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]propan-2-ol is sourced from PubChem (CID 102214953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).