3-methyl-1-(4-propylsulfonylphenyl)pyrrolidin-3-ol

C14H21NO3S — CID 103357771

IUPAC3-methyl-1-(4-propylsulfonylphenyl)pyrrolidin-3-ol
SMILESCCCS(=O)(=O)c1ccc(N2CCC(C)(O)C2)cc1
InChIInChI=1S/C14H21NO3S/c1-3-10-19(17,18)13-6-4-12(5-7-13)15-9-8-14(2,16)11-15/h4-7,16H,3,8-11H2,1-2H3
InChIKeyAWBHLFUWKXNCRK-UHFFFAOYSA-N
MW283.39 g/mol
LogP1.83
Rot. Bonds4

About 3-methyl-1-(4-propylsulfonylphenyl)pyrrolidin-3-ol

3-methyl-1-(4-propylsulfonylphenyl)pyrrolidin-3-ol (PubChem CID 103357771) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 3-methyl-1-(4-propylsulfonylphenyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name3-methyl-1-(4-propylsulfonylphenyl)pyrrolidin-3-ol
PubChem CID103357771
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name3-methyl-1-(4-propylsulfonylphenyl)pyrrolidin-3-ol
SMILESCCCS(=O)(=O)c1ccc(N2CCC(C)(O)C2)cc1
InChIInChI=1S/C14H21NO3S/c1-3-10-19(17,18)13-6-4-12(5-7-13)15-9-8-14(2,16)11-15/h4-7,16H,3,8-11H2,1-2H3
InChIKeyAWBHLFUWKXNCRK-UHFFFAOYSA-N
XLogP1.83
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-propylsulfonylphenyl)piperazine
CID 7148681
2-[4-(4-propylsulfonylphenyl)piperazin-1-yl]ethanol
CID 61151230
1-(4-propylsulfonylphenyl)azetidin-3-amine
CID 63759620
2-(4-ethylsulfonylphenyl)-2-azaspiro[4.5]decane
CID 141308714
4-propylsulfonylbenzenesulfonic acid
CID 163962227
1-(2-chloroethyl)-4-(4-propylsulfonylphenyl)piperazine
CID 63392530
3-bromo-1-(4-propylsulfonylphenyl)pyrrolidine
CID 80667428
1-[4-[(1S)-1-hydroxyethyl]phenyl]-3-methylpyrrolidin-3-ol
CID 103356747
N-cyclopropyl-4-(4-hydroxy-4-methylpiperidin-1-yl)benzenesulfonamide
CID 81107725
1-[4-[(1S)-1-aminoethyl]phenyl]-3-methylpyrrolidin-3-ol
CID 103356537
3-(4-propylsulfonylphenyl)-3,9-diazabicyclo[4.2.1]nonane
CID 115314595
3-(2-bromoethyl)-1-(4-propylsulfonylphenyl)pyrrolidine
CID 114800832

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(4-propylsulfonylphenyl)pyrrolidin-3-ol?
The IUPAC name of 3-methyl-1-(4-propylsulfonylphenyl)pyrrolidin-3-ol (CID 103357771) is 3-methyl-1-(4-propylsulfonylphenyl)pyrrolidin-3-ol.
What is the SMILES notation for 3-methyl-1-(4-propylsulfonylphenyl)pyrrolidin-3-ol?
The canonical SMILES for 3-methyl-1-(4-propylsulfonylphenyl)pyrrolidin-3-ol is CCCS(=O)(=O)c1ccc(N2CCC(C)(O)C2)cc1.
What is the InChIKey of 3-methyl-1-(4-propylsulfonylphenyl)pyrrolidin-3-ol?
The InChIKey is AWBHLFUWKXNCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-3-10-19(17,18)13-6-4-12(5-7-13)15-9-8-14(2,16)11-15/h4-7,16H,3,8-11H2,1-2H3.
What are the key properties of 3-methyl-1-(4-propylsulfonylphenyl)pyrrolidin-3-ol?
3-methyl-1-(4-propylsulfonylphenyl)pyrrolidin-3-ol has a molecular weight of 283.39 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(4-propylsulfonylphenyl)pyrrolidin-3-ol is sourced from PubChem (CID 103357771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).