(3R)-1-(4-propylphenyl)sulfonylpyrrolidin-3-ol

C13H19NO3S — CID 66291747

IUPAC(3R)-1-(4-propylphenyl)sulfonylpyrrolidin-3-ol
SMILESCCCc1ccc(S(=O)(=O)N2CC[C@@H](O)C2)cc1
InChIInChI=1S/C13H19NO3S/c1-2-3-11-4-6-13(7-5-11)18(16,17)14-9-8-12(15)10-14/h4-7,12,15H,2-3,8-10H2,1H3/t12-/m1/s1
InChIKeyRUNUQEMIPBZOMP-GFCCVEGCSA-N
MW269.37 g/mol
LogP1.39
Rot. Bonds4

About (3R)-1-(4-propylphenyl)sulfonylpyrrolidin-3-ol

(3R)-1-(4-propylphenyl)sulfonylpyrrolidin-3-ol (PubChem CID 66291747) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is (3R)-1-(4-propylphenyl)sulfonylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-(4-propylphenyl)sulfonylpyrrolidin-3-ol
PubChem CID66291747
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name(3R)-1-(4-propylphenyl)sulfonylpyrrolidin-3-ol
SMILESCCCc1ccc(S(=O)(=O)N2CC[C@@H](O)C2)cc1
InChIInChI=1S/C13H19NO3S/c1-2-3-11-4-6-13(7-5-11)18(16,17)14-9-8-12(15)10-14/h4-7,12,15H,2-3,8-10H2,1H3/t12-/m1/s1
InChIKeyRUNUQEMIPBZOMP-GFCCVEGCSA-N
XLogP1.39
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethylphenyl)sulfonylpyrrolidin-3-ol
CID 55133087
3-chloro-1-(4-propylphenyl)sulfonylpyrrolidine
CID 63400652
4-methyl-1-(4-propylphenyl)sulfonylpiperidine
CID 17375841
(3S)-1-(4-methylsulfonylphenyl)sulfonylpyrrolidin-3-ol
CID 79031039
1-(4-propoxyphenyl)sulfonylpyrrolidin-3-ol
CID 62917470
methyl 1-(4-propylphenyl)sulfonylpyrrolidine-3-carboxylate
CID 112732202
2-[4-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonylphenyl]acetonitrile
CID 79185826
(3R)-1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-ol
CID 66291356
1-[4-(ethylaminomethyl)phenyl]sulfonylpiperidin-3-ol
CID 61435532
N-[[4-(3-hydroxypyrrolidin-1-yl)sulfonylphenyl]methyl]acetamide
CID 62917136
N-methyl-1-[1-(4-propylphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119977456
3-bromo-1-(4-propylphenyl)sulfonylpiperidine
CID 80676471

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-propylphenyl)sulfonylpyrrolidin-3-ol?
The IUPAC name of (3R)-1-(4-propylphenyl)sulfonylpyrrolidin-3-ol (CID 66291747) is (3R)-1-(4-propylphenyl)sulfonylpyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-(4-propylphenyl)sulfonylpyrrolidin-3-ol?
The canonical SMILES for (3R)-1-(4-propylphenyl)sulfonylpyrrolidin-3-ol is CCCc1ccc(S(=O)(=O)N2CC[C@@H](O)C2)cc1.
What is the InChIKey of (3R)-1-(4-propylphenyl)sulfonylpyrrolidin-3-ol?
The InChIKey is RUNUQEMIPBZOMP-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-2-3-11-4-6-13(7-5-11)18(16,17)14-9-8-12(15)10-14/h4-7,12,15H,2-3,8-10H2,1H3/t12-/m1/s1.
What are the key properties of (3R)-1-(4-propylphenyl)sulfonylpyrrolidin-3-ol?
(3R)-1-(4-propylphenyl)sulfonylpyrrolidin-3-ol has a molecular weight of 269.37 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-propylphenyl)sulfonylpyrrolidin-3-ol is sourced from PubChem (CID 66291747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).