3-[1-(benzenesulfonyl)pyrrolidin-2-yl]propan-1-ol

C13H19NO3S — CID 62469186

IUPAC3-[1-(benzenesulfonyl)pyrrolidin-2-yl]propan-1-ol
SMILESO=S(=O)(c1ccccc1)N1CCCC1CCCO
InChIInChI=1S/C13H19NO3S/c15-11-5-7-12-6-4-10-14(12)18(16,17)13-8-2-1-3-9-13/h1-3,8-9,12,15H,4-7,10-11H2
InChIKeyUZDCYRDJEIHOEH-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.61
Rot. Bonds5

About 3-[1-(benzenesulfonyl)pyrrolidin-2-yl]propan-1-ol

3-[1-(benzenesulfonyl)pyrrolidin-2-yl]propan-1-ol (PubChem CID 62469186) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 3-[1-(benzenesulfonyl)pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-(benzenesulfonyl)pyrrolidin-2-yl]propan-1-ol
PubChem CID62469186
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name3-[1-(benzenesulfonyl)pyrrolidin-2-yl]propan-1-ol
SMILESO=S(=O)(c1ccccc1)N1CCCC1CCCO
InChIInChI=1S/C13H19NO3S/c15-11-5-7-12-6-4-10-14(12)18(16,17)13-8-2-1-3-9-13/h1-3,8-9,12,15H,4-7,10-11H2
InChIKeyUZDCYRDJEIHOEH-UHFFFAOYSA-N
XLogP1.61
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(4-hydrazinylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol
CID 62479579
4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]sulfonylbenzenecarbothioamide
CID 62479576
3-[1-(2-phenylethylsulfonyl)pyrrolidin-2-yl]propan-1-ol
CID 62469370
3-[1-(3-amino-5-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol
CID 62467367
3-[1-(3-amino-4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-ol
CID 62469324
(2S)-1-(benzenesulfonyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine
CID 141334069
3-[1-(3-amino-2-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol
CID 62469145
1-(benzenesulfonyl)-2-(iodomethyl)piperidine
CID 71381040
(2R)-2-butyl-1-(4-methylphenyl)sulfonylpyrrolidine
CID 101030218
N'-[[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]methyl]-N-ethyloxamide
CID 7286107
5-[2-(3-hydroxypropyl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole-4-carboxylic acid
CID 62469033
3-[1-(3-amino-5-chloro-4-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol
CID 62469506

Frequently Asked Questions

What is the IUPAC name of 3-[1-(benzenesulfonyl)pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-(benzenesulfonyl)pyrrolidin-2-yl]propan-1-ol (CID 62469186) is 3-[1-(benzenesulfonyl)pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-(benzenesulfonyl)pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-(benzenesulfonyl)pyrrolidin-2-yl]propan-1-ol is O=S(=O)(c1ccccc1)N1CCCC1CCCO.
What is the InChIKey of 3-[1-(benzenesulfonyl)pyrrolidin-2-yl]propan-1-ol?
The InChIKey is UZDCYRDJEIHOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c15-11-5-7-12-6-4-10-14(12)18(16,17)13-8-2-1-3-9-13/h1-3,8-9,12,15H,4-7,10-11H2.
What are the key properties of 3-[1-(benzenesulfonyl)pyrrolidin-2-yl]propan-1-ol?
3-[1-(benzenesulfonyl)pyrrolidin-2-yl]propan-1-ol has a molecular weight of 269.37 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(benzenesulfonyl)pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 62469186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).