[1-(2-phenylpropylsulfonyl)pyrrolidin-3-yl]methanol

C14H21NO3S — CID 80686704

IUPAC[1-(2-phenylpropylsulfonyl)pyrrolidin-3-yl]methanol
SMILESCC(CS(=O)(=O)N1CCC(CO)C1)c1ccccc1
InChIInChI=1S/C14H21NO3S/c1-12(14-5-3-2-4-6-14)11-19(17,18)15-8-7-13(9-15)10-16/h2-6,12-13,16H,7-11H2,1H3
InChIKeyFLECYINUTBRHPM-UHFFFAOYSA-N
MW283.39 g/mol
LogP1.43
Rot. Bonds5

About [1-(2-phenylpropylsulfonyl)pyrrolidin-3-yl]methanol

[1-(2-phenylpropylsulfonyl)pyrrolidin-3-yl]methanol (PubChem CID 80686704) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is [1-(2-phenylpropylsulfonyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(2-phenylpropylsulfonyl)pyrrolidin-3-yl]methanol
PubChem CID80686704
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name[1-(2-phenylpropylsulfonyl)pyrrolidin-3-yl]methanol
SMILESCC(CS(=O)(=O)N1CCC(CO)C1)c1ccccc1
InChIInChI=1S/C14H21NO3S/c1-12(14-5-3-2-4-6-14)11-19(17,18)15-8-7-13(9-15)10-16/h2-6,12-13,16H,7-11H2,1H3
InChIKeyFLECYINUTBRHPM-UHFFFAOYSA-N
XLogP1.43
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 ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(2-phenylpropylsulfonyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [1-(2-phenylpropylsulfonyl)pyrrolidin-3-yl]methanol (CID 80686704) is [1-(2-phenylpropylsulfonyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-(2-phenylpropylsulfonyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-(2-phenylpropylsulfonyl)pyrrolidin-3-yl]methanol is CC(CS(=O)(=O)N1CCC(CO)C1)c1ccccc1.
What is the InChIKey of [1-(2-phenylpropylsulfonyl)pyrrolidin-3-yl]methanol?
The InChIKey is FLECYINUTBRHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-12(14-5-3-2-4-6-14)11-19(17,18)15-8-7-13(9-15)10-16/h2-6,12-13,16H,7-11H2,1H3.
What are the key properties of [1-(2-phenylpropylsulfonyl)pyrrolidin-3-yl]methanol?
[1-(2-phenylpropylsulfonyl)pyrrolidin-3-yl]methanol has a molecular weight of 283.39 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-phenylpropylsulfonyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 80686704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).