5-(3-methoxyphenyl)sulfanylpentanehydrazide

C12H18N2O2S — CID 63580608

IUPAC5-(3-methoxyphenyl)sulfanylpentanehydrazide
SMILESCOc1cccc(SCCCCC(=O)NN)c1
InChIInChI=1S/C12H18N2O2S/c1-16-10-5-4-6-11(9-10)17-8-3-2-7-12(15)14-13/h4-6,9H,2-3,7-8,13H2,1H3,(H,14,15)
InChIKeyQFUQJMOLRKXTPR-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.95
Rot. Bonds7

About 5-(3-methoxyphenyl)sulfanylpentanehydrazide

5-(3-methoxyphenyl)sulfanylpentanehydrazide (PubChem CID 63580608) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)sulfanylpentanehydrazide.

Molecular Properties

Compound Name5-(3-methoxyphenyl)sulfanylpentanehydrazide
PubChem CID63580608
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name5-(3-methoxyphenyl)sulfanylpentanehydrazide
SMILESCOc1cccc(SCCCCC(=O)NN)c1
InChIInChI=1S/C12H18N2O2S/c1-16-10-5-4-6-11(9-10)17-8-3-2-7-12(15)14-13/h4-6,9H,2-3,7-8,13H2,1H3,(H,14,15)
InChIKeyQFUQJMOLRKXTPR-UHFFFAOYSA-N
XLogP1.95
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-naphthalen-2-ylsulfanylpentanehydrazide
CID 55213311
6-(3-methoxyphenyl)sulfanylhexan-3-one
CID 104623576
3-(3-methoxyphenyl)sulfanyl-N-(methylcarbamoyl)propanamide
CID 47154225
2-(3-methoxyphenyl)sulfanylethanol
CID 2759720
4-(3-methoxy-N-methylanilino)butanehydrazide
CID 63583591
5-[[2-(3-methoxyphenyl)sulfanylacetyl]amino]pentanoic acid
CID 119234511
N-ethyl-3-(3-methoxyphenyl)sulfanylpropan-1-amine
CID 61385948
2-[(3-methoxyphenyl)sulfanylmethyl]benzohydrazide
CID 63580788
3-(3-methoxyphenyl)sulfanyl-N-propan-2-ylpropan-1-amine
CID 61385968
3-(3-methoxyphenyl)sulfanylpropyl methanesulfonate
CID 102166048
4-(2,5-dimethoxyphenyl)butanehydrazide
CID 116843562
4-(4-methoxyphenyl)sulfanylbutanoic acid;10-(3-methoxyphenyl)sulfanyldecanoic acid;7-(2-methoxyphenyl)sulfanylheptanoic acid;6-(4-methoxyphenyl)sulfanylhexanoic acid;5-(2-methoxyphenyl)sulfanylpentanoic acid;5-(4-methoxyphenyl)sulfanylpentanoic acid;3-(4-methoxyphenyl)sulfanylpropanoic acid
CID 159319710

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)sulfanylpentanehydrazide?
The IUPAC name of 5-(3-methoxyphenyl)sulfanylpentanehydrazide (CID 63580608) is 5-(3-methoxyphenyl)sulfanylpentanehydrazide.
What is the SMILES notation for 5-(3-methoxyphenyl)sulfanylpentanehydrazide?
The canonical SMILES for 5-(3-methoxyphenyl)sulfanylpentanehydrazide is COc1cccc(SCCCCC(=O)NN)c1.
What is the InChIKey of 5-(3-methoxyphenyl)sulfanylpentanehydrazide?
The InChIKey is QFUQJMOLRKXTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-16-10-5-4-6-11(9-10)17-8-3-2-7-12(15)14-13/h4-6,9H,2-3,7-8,13H2,1H3,(H,14,15).
What are the key properties of 5-(3-methoxyphenyl)sulfanylpentanehydrazide?
5-(3-methoxyphenyl)sulfanylpentanehydrazide has a molecular weight of 254.35 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)sulfanylpentanehydrazide is sourced from PubChem (CID 63580608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).