3-[1-(4-hydrazinylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol

C13H21N3O3S — CID 62479579

IUPAC3-[1-(4-hydrazinylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol
SMILESNNc1ccc(S(=O)(=O)N2CCCC2CCCO)cc1
InChIInChI=1S/C13H21N3O3S/c14-15-11-5-7-13(8-6-11)20(18,19)16-9-1-3-12(16)4-2-10-17/h5-8,12,15,17H,1-4,9-10,14H2
InChIKeyJKFBDVVCVPIHJF-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.90
Rot. Bonds6

About 3-[1-(4-hydrazinylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol

3-[1-(4-hydrazinylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol (PubChem CID 62479579) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 3-[1-(4-hydrazinylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-(4-hydrazinylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol
PubChem CID62479579
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name3-[1-(4-hydrazinylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol
SMILESNNc1ccc(S(=O)(=O)N2CCCC2CCCO)cc1
InChIInChI=1S/C13H21N3O3S/c14-15-11-5-7-13(8-6-11)20(18,19)16-9-1-3-12(16)4-2-10-17/h5-8,12,15,17H,1-4,9-10,14H2
InChIKeyJKFBDVVCVPIHJF-UHFFFAOYSA-N
XLogP0.90
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[1-(benzenesulfonyl)pyrrolidin-2-yl]propan-1-ol
CID 62469186
4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]sulfonylbenzenecarbothioamide
CID 62479576
1-[1-(4-hydrazinylphenyl)sulfonylpyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 62887801
3-[1-(3-amino-4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-ol
CID 62469324
3-[1-(3-amino-5-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol
CID 62467367
4-[2-(hydroxymethyl)pyrrolidin-1-yl]sulfonyl-N-methylbenzenesulfonamide
CID 61409237
(2R)-2-butyl-1-(4-methylphenyl)sulfonylpyrrolidine
CID 101030218
3-[1-(3-amino-2-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol
CID 62469145
3-[1-(3-amino-5-chloro-4-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol
CID 62469506
2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethanol
CID 54878321
3-[1-(4-amino-2-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol
CID 62467903
[1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]methanol;ethane
CID 143517096

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-hydrazinylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-(4-hydrazinylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol (CID 62479579) is 3-[1-(4-hydrazinylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-(4-hydrazinylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-(4-hydrazinylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol is NNc1ccc(S(=O)(=O)N2CCCC2CCCO)cc1.
What is the InChIKey of 3-[1-(4-hydrazinylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol?
The InChIKey is JKFBDVVCVPIHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c14-15-11-5-7-13(8-6-11)20(18,19)16-9-1-3-12(16)4-2-10-17/h5-8,12,15,17H,1-4,9-10,14H2.
What are the key properties of 3-[1-(4-hydrazinylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol?
3-[1-(4-hydrazinylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol has a molecular weight of 299.40 g/mol, XLogP of 0.90, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-hydrazinylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 62479579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).