2-(3-methylsulfonylphenoxy)pentanehydrazide

C12H18N2O4S — CID 83048030

IUPAC2-(3-methylsulfonylphenoxy)pentanehydrazide
SMILESCCCC(Oc1cccc(S(C)(=O)=O)c1)C(=O)NN
InChIInChI=1S/C12H18N2O4S/c1-3-5-11(12(15)14-13)18-9-6-4-7-10(8-9)19(2,16)17/h4,6-8,11H,3,5,13H2,1-2H3,(H,14,15)
InChIKeyXUBUUHROLPUSNT-UHFFFAOYSA-N
MW286.35 g/mol
LogP0.63
Rot. Bonds6

About 2-(3-methylsulfonylphenoxy)pentanehydrazide

2-(3-methylsulfonylphenoxy)pentanehydrazide (PubChem CID 83048030) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is 2-(3-methylsulfonylphenoxy)pentanehydrazide.

Molecular Properties

Compound Name2-(3-methylsulfonylphenoxy)pentanehydrazide
PubChem CID83048030
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Name2-(3-methylsulfonylphenoxy)pentanehydrazide
SMILESCCCC(Oc1cccc(S(C)(=O)=O)c1)C(=O)NN
InChIInChI=1S/C12H18N2O4S/c1-3-5-11(12(15)14-13)18-9-6-4-7-10(8-9)19(2,16)17/h4,6-8,11H,3,5,13H2,1-2H3,(H,14,15)
InChIKeyXUBUUHROLPUSNT-UHFFFAOYSA-N
XLogP0.63
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-naphthalen-2-yloxypentanehydrazide
CID 54792972
2-(3,4-difluorophenoxy)pentanehydrazide
CID 83048019
2-(2,6-dimethylphenoxy)pentanehydrazide
CID 54792907
2-(3-propan-2-ylphenoxy)butanehydrazide
CID 55213791
2-[(3-methoxyphenyl)methoxy]pentanehydrazide
CID 83047753
2-[4-(trifluoromethyl)phenoxy]pentanehydrazide
CID 83047631
N-ethyl-2-(3-methylsulfonylphenoxy)butan-1-amine
CID 62486290
N-[2-(3-methylsulfonylphenoxy)ethyl]pentan-2-amine
CID 62583058
butyl 2-(3-methylsulfonylphenoxy)acetate
CID 54942460
N-[2-(3-methylsulfonylphenoxy)propyl]pentan-1-amine
CID 62582496
(2R)-N-(3-methylsulfonylphenyl)-2-phenylpentanamide
CID 9071410
2-ethoxy-3-(3-methylsulfonylphenoxy)propanoic acid
CID 63074684

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylsulfonylphenoxy)pentanehydrazide?
The IUPAC name of 2-(3-methylsulfonylphenoxy)pentanehydrazide (CID 83048030) is 2-(3-methylsulfonylphenoxy)pentanehydrazide.
What is the SMILES notation for 2-(3-methylsulfonylphenoxy)pentanehydrazide?
The canonical SMILES for 2-(3-methylsulfonylphenoxy)pentanehydrazide is CCCC(Oc1cccc(S(C)(=O)=O)c1)C(=O)NN.
What is the InChIKey of 2-(3-methylsulfonylphenoxy)pentanehydrazide?
The InChIKey is XUBUUHROLPUSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-3-5-11(12(15)14-13)18-9-6-4-7-10(8-9)19(2,16)17/h4,6-8,11H,3,5,13H2,1-2H3,(H,14,15).
What are the key properties of 2-(3-methylsulfonylphenoxy)pentanehydrazide?
2-(3-methylsulfonylphenoxy)pentanehydrazide has a molecular weight of 286.35 g/mol, XLogP of 0.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylsulfonylphenoxy)pentanehydrazide is sourced from PubChem (CID 83048030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).