2-(3-methoxyphenyl)sulfanylbutanehydrazide

C11H16N2O2S — CID 63582830

IUPAC2-(3-methoxyphenyl)sulfanylbutanehydrazide
SMILESCCC(Sc1cccc(OC)c1)C(=O)NN
InChIInChI=1S/C11H16N2O2S/c1-3-10(11(14)13-12)16-9-6-4-5-8(7-9)15-2/h4-7,10H,3,12H2,1-2H3,(H,13,14)
InChIKeyFIFMUMJMCIPWBP-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.56
Rot. Bonds5

About 2-(3-methoxyphenyl)sulfanylbutanehydrazide

2-(3-methoxyphenyl)sulfanylbutanehydrazide (PubChem CID 63582830) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)sulfanylbutanehydrazide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)sulfanylbutanehydrazide
PubChem CID63582830
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name2-(3-methoxyphenyl)sulfanylbutanehydrazide
SMILESCCC(Sc1cccc(OC)c1)C(=O)NN
InChIInChI=1S/C11H16N2O2S/c1-3-10(11(14)13-12)16-9-6-4-5-8(7-9)15-2/h4-7,10H,3,12H2,1-2H3,(H,13,14)
InChIKeyFIFMUMJMCIPWBP-UHFFFAOYSA-N
XLogP1.56
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N-(3-methoxyphenyl)-2-phenylsulfanylbutanamide
CID 23886285
N-(3-methoxyphenyl)-2-(4-methylphenyl)sulfanylbutanamide
CID 23743067
2-(3-aminophenyl)sulfanyl-N-(4-methoxyphenyl)butanamide
CID 18894350
2-(3-methoxyphenyl)sulfanylpropanedioic acid
CID 19596217
(2R)-2-(3-methoxyphenyl)sulfanyl-N-propylpropanamide
CID 94809014
N-[3-[1-(3-methoxyanilino)-1-oxobutan-2-yl]sulfanylphenyl]-2-methylbenzamide
CID 18906587
methyl 2-(3-methylphenyl)sulfanylbutanoate
CID 54062372
N-[3-[1-(3-chloroanilino)-1-oxobutan-2-yl]sulfanylphenyl]-3-methoxybenzamide
CID 18903385
2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(3-methoxyphenyl)butanamide
CID 19317300
2-[2-[3-[(3-methoxybenzoyl)amino]phenyl]sulfanylbutanoylamino]benzamide
CID 18903443
N-[4-(1-hydrazinyl-1-oxobutan-2-yl)sulfanylphenyl]acetamide
CID 63582470
3-(3-methoxyphenyl)sulfanylpentan-1-amine
CID 43530332

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)sulfanylbutanehydrazide?
The IUPAC name of 2-(3-methoxyphenyl)sulfanylbutanehydrazide (CID 63582830) is 2-(3-methoxyphenyl)sulfanylbutanehydrazide.
What is the SMILES notation for 2-(3-methoxyphenyl)sulfanylbutanehydrazide?
The canonical SMILES for 2-(3-methoxyphenyl)sulfanylbutanehydrazide is CCC(Sc1cccc(OC)c1)C(=O)NN.
What is the InChIKey of 2-(3-methoxyphenyl)sulfanylbutanehydrazide?
The InChIKey is FIFMUMJMCIPWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-3-10(11(14)13-12)16-9-6-4-5-8(7-9)15-2/h4-7,10H,3,12H2,1-2H3,(H,13,14).
What are the key properties of 2-(3-methoxyphenyl)sulfanylbutanehydrazide?
2-(3-methoxyphenyl)sulfanylbutanehydrazide has a molecular weight of 240.33 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)sulfanylbutanehydrazide is sourced from PubChem (CID 63582830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).