1-[1-(2-phenylethylsulfonyl)pyrrolidin-3-yl]ethanol

C14H21NO3S — CID 112627597

IUPAC1-[1-(2-phenylethylsulfonyl)pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(S(=O)(=O)CCc2ccccc2)C1
InChIInChI=1S/C14H21NO3S/c1-12(16)14-7-9-15(11-14)19(17,18)10-8-13-5-3-2-4-6-13/h2-6,12,14,16H,7-11H2,1H3
InChIKeyRLSOTBBGPAWKAV-UHFFFAOYSA-N
MW283.39 g/mol
LogP1.26
Rot. Bonds5

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

1-[1-(2-phenylethylsulfonyl)pyrrolidin-3-yl]ethanol (PubChem CID 112627597) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 1-[1-(2-phenylethylsulfonyl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-(2-phenylethylsulfonyl)pyrrolidin-3-yl]ethanol
PubChem CID112627597
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name1-[1-(2-phenylethylsulfonyl)pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(S(=O)(=O)CCc2ccccc2)C1
InChIInChI=1S/C14H21NO3S/c1-12(16)14-7-9-15(11-14)19(17,18)10-8-13-5-3-2-4-6-13/h2-6,12,14,16H,7-11H2,1H3
InChIKeyRLSOTBBGPAWKAV-UHFFFAOYSA-N
XLogP1.26
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-(2-phenylethylsulfonyl)pyrrolidine
CID 110749816
3-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonylmethyl]benzoic acid
CID 115965126
3-ethyl-1-(2-phenylethylsulfonyl)piperidin-4-amine
CID 81457446
1-[1-(2-methylpropylsulfonyl)pyrrolidin-3-yl]ethanol
CID 112627601
1-[1-(2-ethoxyethylsulfonyl)pyrrolidin-3-yl]ethanol
CID 112627567
1-(2-phenylethylsulfonyl)piperidin-4-amine;hydrochloride
CID 119959095
1-(3-phenylpropylsulfonyl)-4-propan-2-yloxypiperidine
CID 110725489
4-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonylmethyl]benzonitrile
CID 115965238
1-[1-(2-methylphenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 112627615
(2R)-2-methyl-4-(2-phenylethylsulfonyl)morpholine
CID 51710241
(1R)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethanol
CID 96766487
1-[1-(2-phenylethyl)piperidin-4-yl]ethanol
CID 103656947

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-phenylethylsulfonyl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-(2-phenylethylsulfonyl)pyrrolidin-3-yl]ethanol (CID 112627597) is 1-[1-(2-phenylethylsulfonyl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-(2-phenylethylsulfonyl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-(2-phenylethylsulfonyl)pyrrolidin-3-yl]ethanol is CC(O)C1CCN(S(=O)(=O)CCc2ccccc2)C1.
What is the InChIKey of 1-[1-(2-phenylethylsulfonyl)pyrrolidin-3-yl]ethanol?
The InChIKey is RLSOTBBGPAWKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-12(16)14-7-9-15(11-14)19(17,18)10-8-13-5-3-2-4-6-13/h2-6,12,14,16H,7-11H2,1H3.
What are the key properties of 1-[1-(2-phenylethylsulfonyl)pyrrolidin-3-yl]ethanol?
1-[1-(2-phenylethylsulfonyl)pyrrolidin-3-yl]ethanol has a molecular weight of 283.39 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-phenylethylsulfonyl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 112627597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).