2-[4-(pentylsulfanylmethyl)phenyl]propanehydrazide

C15H24N2OS — CID 107760947

IUPAC2-[4-(pentylsulfanylmethyl)phenyl]propanehydrazide
SMILESCCCCCSCc1ccc(C(C)C(=O)NN)cc1
InChIInChI=1S/C15H24N2OS/c1-3-4-5-10-19-11-13-6-8-14(9-7-13)12(2)15(18)17-16/h6-9,12H,3-5,10-11,16H2,1-2H3,(H,17,18)
InChIKeyWXXQBDQBPBPVHH-UHFFFAOYSA-N
MW280.44 g/mol
LogP3.20
Rot. Bonds8

About 2-[4-(pentylsulfanylmethyl)phenyl]propanehydrazide

2-[4-(pentylsulfanylmethyl)phenyl]propanehydrazide (PubChem CID 107760947) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 2-[4-(pentylsulfanylmethyl)phenyl]propanehydrazide.

Molecular Properties

Compound Name2-[4-(pentylsulfanylmethyl)phenyl]propanehydrazide
PubChem CID107760947
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name2-[4-(pentylsulfanylmethyl)phenyl]propanehydrazide
SMILESCCCCCSCc1ccc(C(C)C(=O)NN)cc1
InChIInChI=1S/C15H24N2OS/c1-3-4-5-10-19-11-13-6-8-14(9-7-13)12(2)15(18)17-16/h6-9,12H,3-5,10-11,16H2,1-2H3,(H,17,18)
InChIKeyWXXQBDQBPBPVHH-UHFFFAOYSA-N
XLogP3.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-[4-(ethylsulfanylmethyl)phenyl]propanehydrazide
CID 105352360
2-[4-(3-aminopropylsulfanylmethyl)phenyl]propanoic acid
CID 105345242
2-[4-(2-methylpropyl)phenyl]propanehydrazide
CID 2736674
2-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]propanehydrazide
CID 105352324
2-[4-(methoxymethyl)phenyl]propanehydrazide
CID 105351367
2-[4-(3-methylbutan-2-yloxymethyl)phenyl]propanehydrazide
CID 105351558
2-[4-[(3-hydroxyphenyl)sulfanylmethyl]phenyl]propanehydrazide
CID 105352546
[4-(heptylsulfanylmethyl)phenyl]methanamine
CID 66988842
2-[4-(pyrazin-2-ylsulfanylmethyl)phenyl]propanehydrazide
CID 105352320
2-[4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]propanehydrazide
CID 105352433
2-[4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]propanehydrazide
CID 105351961
2-[4-[(2,6-dioxopiperidin-1-yl)methyl]phenyl]propanehydrazide
CID 105352178

Frequently Asked Questions

What is the IUPAC name of 2-[4-(pentylsulfanylmethyl)phenyl]propanehydrazide?
The IUPAC name of 2-[4-(pentylsulfanylmethyl)phenyl]propanehydrazide (CID 107760947) is 2-[4-(pentylsulfanylmethyl)phenyl]propanehydrazide.
What is the SMILES notation for 2-[4-(pentylsulfanylmethyl)phenyl]propanehydrazide?
The canonical SMILES for 2-[4-(pentylsulfanylmethyl)phenyl]propanehydrazide is CCCCCSCc1ccc(C(C)C(=O)NN)cc1.
What is the InChIKey of 2-[4-(pentylsulfanylmethyl)phenyl]propanehydrazide?
The InChIKey is WXXQBDQBPBPVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-3-4-5-10-19-11-13-6-8-14(9-7-13)12(2)15(18)17-16/h6-9,12H,3-5,10-11,16H2,1-2H3,(H,17,18).
What are the key properties of 2-[4-(pentylsulfanylmethyl)phenyl]propanehydrazide?
2-[4-(pentylsulfanylmethyl)phenyl]propanehydrazide has a molecular weight of 280.44 g/mol, XLogP of 3.20, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(pentylsulfanylmethyl)phenyl]propanehydrazide is sourced from PubChem (CID 107760947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).