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

C15H23NO4S — CID 114799335

IUPAC1-[3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]sulfonylphenyl]propan-1-ol
SMILESCCC(O)c1cccc(S(=O)(=O)N2CCC(CCO)C2)c1
InChIInChI=1S/C15H23NO4S/c1-2-15(18)13-4-3-5-14(10-13)21(19,20)16-8-6-12(11-16)7-9-17/h3-5,10,12,15,17-18H,2,6-9,11H2,1H3
InChIKeyMKZHZEMKAAOOKB-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.52
Rot. Bonds6

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

1-[3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]sulfonylphenyl]propan-1-ol (PubChem CID 114799335) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is 1-[3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]sulfonylphenyl]propan-1-ol.

Molecular Properties

Compound Name1-[3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]sulfonylphenyl]propan-1-ol
PubChem CID114799335
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC Name1-[3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]sulfonylphenyl]propan-1-ol
SMILESCCC(O)c1cccc(S(=O)(=O)N2CCC(CCO)C2)c1
InChIInChI=1S/C15H23NO4S/c1-2-15(18)13-4-3-5-14(10-13)21(19,20)16-8-6-12(11-16)7-9-17/h3-5,10,12,15,17-18H,2,6-9,11H2,1H3
InChIKeyMKZHZEMKAAOOKB-UHFFFAOYSA-N
XLogP1.52
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[3-(1-aminoethyl)phenyl]sulfonylpiperidin-3-yl]ethanol
CID 107227828
1-[3-(4-methoxypiperidin-1-yl)sulfonylphenyl]propan-1-ol
CID 60873819
2-[1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]ethanol
CID 115745003
2-[1-(3-nitrophenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 104626314
2-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 102077480
1-[3-(1-aminopropyl)phenyl]sulfonylpyrrolidin-3-ol
CID 62944000
[1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]methanol
CID 62370440
1-[3-(2,3-dimethylpiperidin-1-yl)sulfonylphenyl]propan-1-ol
CID 62124171
2-[1-[4-[1-(methylamino)ethyl]phenyl]sulfonylpyrrolidin-3-yl]ethanol
CID 114798223
2-[1-[4-(aminomethyl)phenyl]sulfonylpyrrolidin-3-yl]ethanol
CID 114797364
1-[1-[3-(1-aminoethyl)phenyl]sulfonylpiperidin-4-yl]ethanol
CID 106836366
2-amino-4-[3-(2-hydroxyethyl)pyrrolidin-1-yl]sulfonylphenol
CID 114796751

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]sulfonylphenyl]propan-1-ol?
The IUPAC name of 1-[3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]sulfonylphenyl]propan-1-ol (CID 114799335) is 1-[3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]sulfonylphenyl]propan-1-ol.
What is the SMILES notation for 1-[3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]sulfonylphenyl]propan-1-ol?
The canonical SMILES for 1-[3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]sulfonylphenyl]propan-1-ol is CCC(O)c1cccc(S(=O)(=O)N2CCC(CCO)C2)c1.
What is the InChIKey of 1-[3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]sulfonylphenyl]propan-1-ol?
The InChIKey is MKZHZEMKAAOOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4S/c1-2-15(18)13-4-3-5-14(10-13)21(19,20)16-8-6-12(11-16)7-9-17/h3-5,10,12,15,17-18H,2,6-9,11H2,1H3.
What are the key properties of 1-[3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]sulfonylphenyl]propan-1-ol?
1-[3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]sulfonylphenyl]propan-1-ol has a molecular weight of 313.42 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]sulfonylphenyl]propan-1-ol is sourced from PubChem (CID 114799335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).