(S)-benzenesulfonyl-[(2R)-pyrrolidin-2-yl]methanol;(R)-benzenesulfonyl-[(2S)-pyrrolidin-2-yl]methanol

C22H30N2O6S2 — CID 165053495

IUPAC(S)-benzenesulfonyl-[(2R)-pyrrolidin-2-yl]methanol;(R)-benzenesulfonyl-[(2S)-pyrrolidin-2-yl]methanol
SMILESO=S(=O)(c1ccccc1)[C@@H](O)[C@@H]1CCCN1.O=S(=O)(c1ccccc1)[C@H](O)[C@H]1CCCN1
InChIInChI=1S/2C11H15NO3S/c2*13-11(10-7-4-8-12-10)16(14,15)9-5-2-1-3-6-9/h2*1-3,5-6,10-13H,4,7-8H2/t2*10-,11+/m10/s1
InChIKeyQAPHWXFPUBFTTM-LXXSSVHESA-N
MW482.62 g/mol
LogP1.06
Rot. Bonds6

About (S)-benzenesulfonyl-[(2R)-pyrrolidin-2-yl]methanol;(R)-benzenesulfonyl-[(2S)-pyrrolidin-2-yl]methanol

(S)-benzenesulfonyl-[(2R)-pyrrolidin-2-yl]methanol;(R)-benzenesulfonyl-[(2S)-pyrrolidin-2-yl]methanol (PubChem CID 165053495) has the molecular formula C22H30N2O6S2 and a molecular weight of 482.62 g/mol. Its IUPAC name is (S)-benzenesulfonyl-[(2R)-pyrrolidin-2-yl]methanol;(R)-benzenesulfonyl-[(2S)-pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name(S)-benzenesulfonyl-[(2R)-pyrrolidin-2-yl]methanol;(R)-benzenesulfonyl-[(2S)-pyrrolidin-2-yl]methanol
PubChem CID165053495
Molecular FormulaC22H30N2O6S2
Molecular Weight482.62 g/mol
Exact Mass482.15
IUPAC Name(S)-benzenesulfonyl-[(2R)-pyrrolidin-2-yl]methanol;(R)-benzenesulfonyl-[(2S)-pyrrolidin-2-yl]methanol
SMILESO=S(=O)(c1ccccc1)[C@@H](O)[C@@H]1CCCN1.O=S(=O)(c1ccccc1)[C@H](O)[C@H]1CCCN1
InChIInChI=1S/2C11H15NO3S/c2*13-11(10-7-4-8-12-10)16(14,15)9-5-2-1-3-6-9/h2*1-3,5-6,10-13H,4,7-8H2/t2*10-,11+/m10/s1
InChIKeyQAPHWXFPUBFTTM-LXXSSVHESA-N
XLogP1.06
TPSA132.80 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.62
LogP ≤ 51.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

phenyl-[(2R)-pyrrolidin-2-yl]methanol;hydrochloride
CID 68687169
2,2-diphenyl-1-[(2R)-pyrrolidin-2-yl]ethanol
CID 118229705
2,2-diphenyl-1-pyrrolidin-2-ylethanol
CID 69294076
2,2-diphenyl-1-[(2S)-pyrrolidin-2-yl]ethanol
CID 68647594
(1S)-2-[dimethyl(phenyl)-λ4-sulfanyl]-1-[(2S)-piperidin-2-yl]ethanol
CID 155010585
benzyl (2S)-2-hydroxy-2-[(2S)-pyrrolidin-2-yl]ethanesulfonate
CID 155141546
2-diphenylphosphoryl-1-pyrrolidin-2-ylethanol
CID 155698696
(2S)-2-(2-bromophenyl)-2-[(2R)-pyrrolidin-2-yl]acetic acid
CID 178194212
1,2-bis(benzenesulfonyl)ethane-1,2-diol
CID 158874761
(2R)-2-[(1R)-1-phenylethyl]pyrrolidine
CID 95732426
(2-methylphenyl)-[(2R)-pyrrolidin-2-yl]methanol
CID 164654197
(1S)-2-[methyl(phenyl)phosphoryl]-1-[(2S)-pyrrolidin-2-yl]ethanol
CID 155141516

Frequently Asked Questions

What is the IUPAC name of (S)-benzenesulfonyl-[(2R)-pyrrolidin-2-yl]methanol;(R)-benzenesulfonyl-[(2S)-pyrrolidin-2-yl]methanol?
The IUPAC name of (S)-benzenesulfonyl-[(2R)-pyrrolidin-2-yl]methanol;(R)-benzenesulfonyl-[(2S)-pyrrolidin-2-yl]methanol (CID 165053495) is (S)-benzenesulfonyl-[(2R)-pyrrolidin-2-yl]methanol;(R)-benzenesulfonyl-[(2S)-pyrrolidin-2-yl]methanol.
What is the SMILES notation for (S)-benzenesulfonyl-[(2R)-pyrrolidin-2-yl]methanol;(R)-benzenesulfonyl-[(2S)-pyrrolidin-2-yl]methanol?
The canonical SMILES for (S)-benzenesulfonyl-[(2R)-pyrrolidin-2-yl]methanol;(R)-benzenesulfonyl-[(2S)-pyrrolidin-2-yl]methanol is O=S(=O)(c1ccccc1)[C@@H](O)[C@@H]1CCCN1.O=S(=O)(c1ccccc1)[C@H](O)[C@H]1CCCN1.
What is the InChIKey of (S)-benzenesulfonyl-[(2R)-pyrrolidin-2-yl]methanol;(R)-benzenesulfonyl-[(2S)-pyrrolidin-2-yl]methanol?
The InChIKey is QAPHWXFPUBFTTM-LXXSSVHESA-N. The full InChI is InChI=1S/2C11H15NO3S/c2*13-11(10-7-4-8-12-10)16(14,15)9-5-2-1-3-6-9/h2*1-3,5-6,10-13H,4,7-8H2/t2*10-,11+/m10/s1.
What are the key properties of (S)-benzenesulfonyl-[(2R)-pyrrolidin-2-yl]methanol;(R)-benzenesulfonyl-[(2S)-pyrrolidin-2-yl]methanol?
(S)-benzenesulfonyl-[(2R)-pyrrolidin-2-yl]methanol;(R)-benzenesulfonyl-[(2S)-pyrrolidin-2-yl]methanol has a molecular weight of 482.62 g/mol, XLogP of 1.06, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-benzenesulfonyl-[(2R)-pyrrolidin-2-yl]methanol;(R)-benzenesulfonyl-[(2S)-pyrrolidin-2-yl]methanol is sourced from PubChem (CID 165053495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).