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

C15H23NO3S — CID 62469370

IUPAC3-[1-(2-phenylethylsulfonyl)pyrrolidin-2-yl]propan-1-ol
SMILESO=S(=O)(CCc1ccccc1)N1CCCC1CCCO
InChIInChI=1S/C15H23NO3S/c17-12-5-9-15-8-4-11-16(15)20(18,19)13-10-14-6-2-1-3-7-14/h1-3,6-7,15,17H,4-5,8-13H2
InChIKeyKBOPETHUYHYYLR-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.80
Rot. Bonds7

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

3-[1-(2-phenylethylsulfonyl)pyrrolidin-2-yl]propan-1-ol (PubChem CID 62469370) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is 3-[1-(2-phenylethylsulfonyl)pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-(2-phenylethylsulfonyl)pyrrolidin-2-yl]propan-1-ol
PubChem CID62469370
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name3-[1-(2-phenylethylsulfonyl)pyrrolidin-2-yl]propan-1-ol
SMILESO=S(=O)(CCc1ccccc1)N1CCCC1CCCO
InChIInChI=1S/C15H23NO3S/c17-12-5-9-15-8-4-11-16(15)20(18,19)13-10-14-6-2-1-3-7-14/h1-3,6-7,15,17H,4-5,8-13H2
InChIKeyKBOPETHUYHYYLR-UHFFFAOYSA-N
XLogP1.80
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(benzenesulfonyl)pyrrolidin-2-yl]propan-1-ol
CID 62469186
3-[1-[[3-(aminomethyl)phenyl]methylsulfonyl]pyrrolidin-2-yl]propan-1-ol
CID 62480272
methyl 1-(2-phenylethylsulfonyl)pyrrolidine-2-carboxylate
CID 43624427
1-benzylsulfonyl-2-decylpyrrolidine
CID 59852625
3-[1-[2-(propan-2-ylamino)ethylsulfonyl]pyrrolidin-2-yl]propan-1-ol
CID 62480106
[4-methyl-1-(2-phenylethylsulfonyl)piperidin-2-yl]methanamine
CID 103441395
1-(oxan-4-ylmethylsulfonyl)-2-(2-phenylethyl)pyrrolidine
CID 71997745
3-[1-(2-pyridin-2-ylethylsulfonyl)pyrrolidin-2-yl]propan-1-amine
CID 63767385
3-[1-(cyclohexylmethylsulfonyl)pyrrolidin-2-yl]propan-1-ol
CID 62467761
1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-phenylethanone
CID 62469494
2-[(2S)-1-(2-phenylethylsulfonyl)pyrrolidin-2-yl]-1H-pyrrole
CID 96545725
6-(1-benzylsulfonylpyrrolidin-2-yl)-N-ethylhexanamide
CID 20718946

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-phenylethylsulfonyl)pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-(2-phenylethylsulfonyl)pyrrolidin-2-yl]propan-1-ol (CID 62469370) is 3-[1-(2-phenylethylsulfonyl)pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-(2-phenylethylsulfonyl)pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-(2-phenylethylsulfonyl)pyrrolidin-2-yl]propan-1-ol is O=S(=O)(CCc1ccccc1)N1CCCC1CCCO.
What is the InChIKey of 3-[1-(2-phenylethylsulfonyl)pyrrolidin-2-yl]propan-1-ol?
The InChIKey is KBOPETHUYHYYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c17-12-5-9-15-8-4-11-16(15)20(18,19)13-10-14-6-2-1-3-7-14/h1-3,6-7,15,17H,4-5,8-13H2.
What are the key properties of 3-[1-(2-phenylethylsulfonyl)pyrrolidin-2-yl]propan-1-ol?
3-[1-(2-phenylethylsulfonyl)pyrrolidin-2-yl]propan-1-ol has a molecular weight of 297.42 g/mol, XLogP of 1.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-phenylethylsulfonyl)pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 62469370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).