1-(benzenesulfonyl)-4-morpholin-4-ylpyrrolidin-3-ol

C14H20N2O4S — CID 67536684

IUPAC1-(benzenesulfonyl)-4-morpholin-4-ylpyrrolidin-3-ol
SMILESO=S(=O)(c1ccccc1)N1CC(O)C(N2CCOCC2)C1
InChIInChI=1S/C14H20N2O4S/c17-14-11-16(10-13(14)15-6-8-20-9-7-15)21(18,19)12-4-2-1-3-5-12/h1-5,13-14,17H,6-11H2
InChIKeyOLVPQODNAMPCJJ-UHFFFAOYSA-N
MW312.39 g/mol
LogP-0.25
Rot. Bonds3

About 1-(benzenesulfonyl)-4-morpholin-4-ylpyrrolidin-3-ol

1-(benzenesulfonyl)-4-morpholin-4-ylpyrrolidin-3-ol (PubChem CID 67536684) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-morpholin-4-ylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-morpholin-4-ylpyrrolidin-3-ol
PubChem CID67536684
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name1-(benzenesulfonyl)-4-morpholin-4-ylpyrrolidin-3-ol
SMILESO=S(=O)(c1ccccc1)N1CC(O)C(N2CCOCC2)C1
InChIInChI=1S/C14H20N2O4S/c17-14-11-16(10-13(14)15-6-8-20-9-7-15)21(18,19)12-4-2-1-3-5-12/h1-5,13-14,17H,6-11H2
InChIKeyOLVPQODNAMPCJJ-UHFFFAOYSA-N
XLogP-0.25
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(benzenesulfonyl)morpholine;ethane
CID 143200179
(3S,4S)-1-(benzenesulfonyl)-4-[4-(2-methoxyphenoxy)piperidin-1-yl]pyrrolidin-3-ol
CID 42595059
(3R,4R)-4-morpholin-4-yl-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-ol
CID 110108224
3-(benzenesulfonyl)-3-azabicyclo[3.1.0]hexane
CID 77427931
[(3R,4R)-1-(benzenesulfonyl)-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol
CID 72886667
(3R,4R)-1-morpholin-4-ylsulfonyl-4-pyrrolidin-1-ylpyrrolidin-3-ol
CID 110131898
(3R,4R)-1-(benzenesulfonyl)-4-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrrolidin-3-ol
CID 133118876
4-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]morpholine
CID 110284722
(3S,4S)-4-[4-(benzenesulfonyl)piperazin-1-yl]-1,1-dioxothiolan-3-ol
CID 97016337
1-(benzenesulfonyl)-3-fluoroazetidine
CID 141433694
4-(3,4-dihydroxypyrrolidin-1-yl)sulfonylbenzoic acid
CID 106668323
3-(3-morpholin-4-ylpyrrolidin-1-yl)sulfonylphenol
CID 81265123

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-4-morpholin-4-ylpyrrolidin-3-ol?
The IUPAC name of 1-(benzenesulfonyl)-4-morpholin-4-ylpyrrolidin-3-ol (CID 67536684) is 1-(benzenesulfonyl)-4-morpholin-4-ylpyrrolidin-3-ol.
What is the SMILES notation for 1-(benzenesulfonyl)-4-morpholin-4-ylpyrrolidin-3-ol?
The canonical SMILES for 1-(benzenesulfonyl)-4-morpholin-4-ylpyrrolidin-3-ol is O=S(=O)(c1ccccc1)N1CC(O)C(N2CCOCC2)C1.
What is the InChIKey of 1-(benzenesulfonyl)-4-morpholin-4-ylpyrrolidin-3-ol?
The InChIKey is OLVPQODNAMPCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c17-14-11-16(10-13(14)15-6-8-20-9-7-15)21(18,19)12-4-2-1-3-5-12/h1-5,13-14,17H,6-11H2.
What are the key properties of 1-(benzenesulfonyl)-4-morpholin-4-ylpyrrolidin-3-ol?
1-(benzenesulfonyl)-4-morpholin-4-ylpyrrolidin-3-ol has a molecular weight of 312.39 g/mol, XLogP of -0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-4-morpholin-4-ylpyrrolidin-3-ol is sourced from PubChem (CID 67536684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).