4-(4-methoxyphenyl)sulfanylpentanehydrazide

C12H18N2O2S — CID 63580974

IUPAC4-(4-methoxyphenyl)sulfanylpentanehydrazide
SMILESCOc1ccc(SC(C)CCC(=O)NN)cc1
InChIInChI=1S/C12H18N2O2S/c1-9(3-8-12(15)14-13)17-11-6-4-10(16-2)5-7-11/h4-7,9H,3,8,13H2,1-2H3,(H,14,15)
InChIKeyIPFQGSYTDZXPLC-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.95
Rot. Bonds6

About 4-(4-methoxyphenyl)sulfanylpentanehydrazide

4-(4-methoxyphenyl)sulfanylpentanehydrazide (PubChem CID 63580974) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)sulfanylpentanehydrazide.

Molecular Properties

Compound Name4-(4-methoxyphenyl)sulfanylpentanehydrazide
PubChem CID63580974
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name4-(4-methoxyphenyl)sulfanylpentanehydrazide
SMILESCOc1ccc(SC(C)CCC(=O)NN)cc1
InChIInChI=1S/C12H18N2O2S/c1-9(3-8-12(15)14-13)17-11-6-4-10(16-2)5-7-11/h4-7,9H,3,8,13H2,1-2H3,(H,14,15)
InChIKeyIPFQGSYTDZXPLC-UHFFFAOYSA-N
XLogP1.95
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(4-hydroxyphenyl)sulfanylpentanehydrazide
CID 63581994
4-(3,4-difluorophenyl)sulfanylpentanehydrazide
CID 63582881
4-(4-methylsulfanylphenoxy)pentanehydrazide
CID 55246737
4-(2-amino-5-ethoxyphenyl)sulfanylpentanehydrazide
CID 79512196
ethyl 3-[[(2S)-2-(4-methoxyphenyl)sulfanylpropanoyl]amino]propanoate
CID 94809358
4-(4-methoxyphenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentanamide
CID 64711066
ethyl 3-[2-(4-methoxyphenyl)sulfanylpropanoylamino]propanoate
CID 51093901
methyl 2-(4-methoxyphenyl)-2-(4-methoxyphenyl)sulfanylacetate
CID 132582668
5-(4-methoxyphenyl)pentanehydrazide
CID 59015987
N-(2-aminoethyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 119382103
2-(4-methoxyphenyl)sulfanyl-N-(3-methylbutyl)propanamide
CID 132760074
2-(4-methoxyphenyl)sulfanylpentan-3-one
CID 60973114

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)sulfanylpentanehydrazide?
The IUPAC name of 4-(4-methoxyphenyl)sulfanylpentanehydrazide (CID 63580974) is 4-(4-methoxyphenyl)sulfanylpentanehydrazide.
What is the SMILES notation for 4-(4-methoxyphenyl)sulfanylpentanehydrazide?
The canonical SMILES for 4-(4-methoxyphenyl)sulfanylpentanehydrazide is COc1ccc(SC(C)CCC(=O)NN)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)sulfanylpentanehydrazide?
The InChIKey is IPFQGSYTDZXPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-9(3-8-12(15)14-13)17-11-6-4-10(16-2)5-7-11/h4-7,9H,3,8,13H2,1-2H3,(H,14,15).
What are the key properties of 4-(4-methoxyphenyl)sulfanylpentanehydrazide?
4-(4-methoxyphenyl)sulfanylpentanehydrazide has a molecular weight of 254.35 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)sulfanylpentanehydrazide is sourced from PubChem (CID 63580974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).