2-(2-methylbutylsulfanyl)pentanehydrazide

C10H22N2OS — CID 107761035

IUPAC2-(2-methylbutylsulfanyl)pentanehydrazide
SMILESCCCC(SCC(C)CC)C(=O)NN
InChIInChI=1S/C10H22N2OS/c1-4-6-9(10(13)12-11)14-7-8(3)5-2/h8-9H,4-7,11H2,1-3H3,(H,12,13)
InChIKeyBBISXYJVLIYBKH-UHFFFAOYSA-N
MW218.37 g/mol
LogP1.92
Rot. Bonds7

About 2-(2-methylbutylsulfanyl)pentanehydrazide

2-(2-methylbutylsulfanyl)pentanehydrazide (PubChem CID 107761035) has the molecular formula C10H22N2OS and a molecular weight of 218.37 g/mol. Its IUPAC name is 2-(2-methylbutylsulfanyl)pentanehydrazide.

Molecular Properties

Compound Name2-(2-methylbutylsulfanyl)pentanehydrazide
PubChem CID107761035
Molecular FormulaC10H22N2OS
Molecular Weight218.37 g/mol
Exact Mass218.15
IUPAC Name2-(2-methylbutylsulfanyl)pentanehydrazide
SMILESCCCC(SCC(C)CC)C(=O)NN
InChIInChI=1S/C10H22N2OS/c1-4-6-9(10(13)12-11)14-7-8(3)5-2/h8-9H,4-7,11H2,1-3H3,(H,12,13)
InChIKeyBBISXYJVLIYBKH-UHFFFAOYSA-N
XLogP1.92
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.37
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(4-hydroxybutan-2-ylsulfanyl)pentanehydrazide
CID 83047696
2-(3-aminobutylsulfanyl)butanehydrazide
CID 66234843
2-methylpentanehydrazide
CID 43183484
2-cyclopentylsulfanylpentanehydrazide
CID 83048342
(2S)-2-ethylhexanehydrazide
CID 40549650
2-propylhexanehydrazide
CID 86746660
2-(2-bromophenyl)sulfanylpentanehydrazide
CID 83047435
2-[2,3-bis[(1-hydrazinyl-1-oxopropan-2-yl)sulfanyl]propylsulfanyl]propanehydrazide
CID 18185479
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pentanehydrazide
CID 83048478
2-(3-amino-2-methylphenyl)sulfanylpentanehydrazide
CID 83048618
methyl 3-(1-hydrazinyl-1-oxobutan-2-yl)sulfanylpropanoate
CID 63580664
2-(2-amino-3-methoxy-3-oxopropyl)sulfanylpentanoic acid
CID 83040640

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbutylsulfanyl)pentanehydrazide?
The IUPAC name of 2-(2-methylbutylsulfanyl)pentanehydrazide (CID 107761035) is 2-(2-methylbutylsulfanyl)pentanehydrazide.
What is the SMILES notation for 2-(2-methylbutylsulfanyl)pentanehydrazide?
The canonical SMILES for 2-(2-methylbutylsulfanyl)pentanehydrazide is CCCC(SCC(C)CC)C(=O)NN.
What is the InChIKey of 2-(2-methylbutylsulfanyl)pentanehydrazide?
The InChIKey is BBISXYJVLIYBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2OS/c1-4-6-9(10(13)12-11)14-7-8(3)5-2/h8-9H,4-7,11H2,1-3H3,(H,12,13).
What are the key properties of 2-(2-methylbutylsulfanyl)pentanehydrazide?
2-(2-methylbutylsulfanyl)pentanehydrazide has a molecular weight of 218.37 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbutylsulfanyl)pentanehydrazide is sourced from PubChem (CID 107761035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).