1-[3-(1-aminopropyl)phenyl]sulfonylpyrrolidin-3-ol

C13H20N2O3S — CID 62944000

IUPAC1-[3-(1-aminopropyl)phenyl]sulfonylpyrrolidin-3-ol
SMILESCCC(N)c1cccc(S(=O)(=O)N2CCC(O)C2)c1
InChIInChI=1S/C13H20N2O3S/c1-2-13(14)10-4-3-5-12(8-10)19(17,18)15-7-6-11(16)9-15/h3-5,8,11,13,16H,2,6-7,9,14H2,1H3
InChIKeyZTPCYDLRERKTJX-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.85
Rot. Bonds4

About 1-[3-(1-aminopropyl)phenyl]sulfonylpyrrolidin-3-ol

1-[3-(1-aminopropyl)phenyl]sulfonylpyrrolidin-3-ol (PubChem CID 62944000) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 1-[3-(1-aminopropyl)phenyl]sulfonylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-[3-(1-aminopropyl)phenyl]sulfonylpyrrolidin-3-ol
PubChem CID62944000
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name1-[3-(1-aminopropyl)phenyl]sulfonylpyrrolidin-3-ol
SMILESCCC(N)c1cccc(S(=O)(=O)N2CCC(O)C2)c1
InChIInChI=1S/C13H20N2O3S/c1-2-13(14)10-4-3-5-12(8-10)19(17,18)15-7-6-11(16)9-15/h3-5,8,11,13,16H,2,6-7,9,14H2,1H3
InChIKeyZTPCYDLRERKTJX-UHFFFAOYSA-N
XLogP0.85
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 60871674
1-[3-(azepan-1-ylsulfonyl)phenyl]propan-1-amine
CID 60873787
1-[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]propan-1-amine
CID 60872652
1-[3-(2-methylmorpholin-4-yl)sulfonylphenyl]propan-1-amine
CID 60873972
1-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]propan-1-amine
CID 104959241
(3R)-1-(3-methylphenyl)sulfonylpyrrolidin-3-ol
CID 66291650
1-(3-aminophenyl)sulfonylpyrrolidin-3-ol
CID 62917852
1-(3-hydroxyphenyl)sulfonylpyrrolidin-3-ol
CID 81258512
1-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]propan-1-amine
CID 60873415
1-(4-butan-2-ylphenyl)sulfonylpyrrolidin-3-ol
CID 62917135
(3S)-1-(3-amino-4-ethylphenyl)sulfonylpyrrolidin-3-ol
CID 107212087
(3R)-1-(3-methoxyphenyl)sulfonylpyrrolidin-3-ol
CID 81258608

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-aminopropyl)phenyl]sulfonylpyrrolidin-3-ol?
The IUPAC name of 1-[3-(1-aminopropyl)phenyl]sulfonylpyrrolidin-3-ol (CID 62944000) is 1-[3-(1-aminopropyl)phenyl]sulfonylpyrrolidin-3-ol.
What is the SMILES notation for 1-[3-(1-aminopropyl)phenyl]sulfonylpyrrolidin-3-ol?
The canonical SMILES for 1-[3-(1-aminopropyl)phenyl]sulfonylpyrrolidin-3-ol is CCC(N)c1cccc(S(=O)(=O)N2CCC(O)C2)c1.
What is the InChIKey of 1-[3-(1-aminopropyl)phenyl]sulfonylpyrrolidin-3-ol?
The InChIKey is ZTPCYDLRERKTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-2-13(14)10-4-3-5-12(8-10)19(17,18)15-7-6-11(16)9-15/h3-5,8,11,13,16H,2,6-7,9,14H2,1H3.
What are the key properties of 1-[3-(1-aminopropyl)phenyl]sulfonylpyrrolidin-3-ol?
1-[3-(1-aminopropyl)phenyl]sulfonylpyrrolidin-3-ol has a molecular weight of 284.38 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-aminopropyl)phenyl]sulfonylpyrrolidin-3-ol is sourced from PubChem (CID 62944000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).