[(3R,4R)-1-(benzenesulfonyl)-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol

C16H24N2O4S — CID 72886667

IUPAC[(3R,4R)-1-(benzenesulfonyl)-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol
SMILESO=S(=O)(c1ccccc1)N1C[C@@H](CN2CCOCC2)[C@@H](CO)C1
InChIInChI=1S/C16H24N2O4S/c19-13-15-12-18(23(20,21)16-4-2-1-3-5-16)11-14(15)10-17-6-8-22-9-7-17/h1-5,14-15,19H,6-13H2/t14-,15-/m1/s1
InChIKeyQITOQTXECPOICX-HUUCEWRRSA-N
MW340.45 g/mol
LogP0.25
Rot. Bonds5

About [(3R,4R)-1-(benzenesulfonyl)-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol

[(3R,4R)-1-(benzenesulfonyl)-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol (PubChem CID 72886667) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is [(3R,4R)-1-(benzenesulfonyl)-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R,4R)-1-(benzenesulfonyl)-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol
PubChem CID72886667
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC Name[(3R,4R)-1-(benzenesulfonyl)-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol
SMILESO=S(=O)(c1ccccc1)N1C[C@@H](CN2CCOCC2)[C@@H](CO)C1
InChIInChI=1S/C16H24N2O4S/c19-13-15-12-18(23(20,21)16-4-2-1-3-5-16)11-14(15)10-17-6-8-22-9-7-17/h1-5,14-15,19H,6-13H2/t14-,15-/m1/s1
InChIKeyQITOQTXECPOICX-HUUCEWRRSA-N
XLogP0.25
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]morpholine
CID 110284722
[(3R,4S)-1-(2,2-diphenylethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol
CID 70724913
1-(benzenesulfonyl)-4-morpholin-4-ylpyrrolidin-3-ol
CID 67536684
[4-(benzenesulfonyl)-6-(hydroxymethyl)morpholin-2-yl]methanol
CID 18540374
4-(benzenesulfonyl)morpholine;ethane
CID 143200179
1-[(3S,4S)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 133139254
1-[2-[(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one
CID 72863684
3-(benzenesulfonyl)-3-azabicyclo[3.1.0]hexane
CID 77427931
[(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(1-phenylpyrazol-4-yl)methanone
CID 70764759
(4-chlorophenyl)-[(3S,4S)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 133134656
[(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 70720688
(3aS,6aR)-5-(benzenesulfonyl)-2-(cyclopentylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 97401920

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-1-(benzenesulfonyl)-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [(3R,4R)-1-(benzenesulfonyl)-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol (CID 72886667) is [(3R,4R)-1-(benzenesulfonyl)-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3R,4R)-1-(benzenesulfonyl)-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3R,4R)-1-(benzenesulfonyl)-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol is O=S(=O)(c1ccccc1)N1C[C@@H](CN2CCOCC2)[C@@H](CO)C1.
What is the InChIKey of [(3R,4R)-1-(benzenesulfonyl)-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol?
The InChIKey is QITOQTXECPOICX-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H24N2O4S/c19-13-15-12-18(23(20,21)16-4-2-1-3-5-16)11-14(15)10-17-6-8-22-9-7-17/h1-5,14-15,19H,6-13H2/t14-,15-/m1/s1.
What are the key properties of [(3R,4R)-1-(benzenesulfonyl)-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol?
[(3R,4R)-1-(benzenesulfonyl)-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol has a molecular weight of 340.45 g/mol, XLogP of 0.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-1-(benzenesulfonyl)-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 72886667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).