5-(2-methylbutylsulfanyl)pentanehydrazide

C10H22N2OS — CID 107761022

IUPAC5-(2-methylbutylsulfanyl)pentanehydrazide
SMILESCCC(C)CSCCCCC(=O)NN
InChIInChI=1S/C10H22N2OS/c1-3-9(2)8-14-7-5-4-6-10(13)12-11/h9H,3-8,11H2,1-2H3,(H,12,13)
InChIKeyMNQOHWSOJOCTQJ-UHFFFAOYSA-N
MW218.37 g/mol
LogP1.93
Rot. Bonds8

About 5-(2-methylbutylsulfanyl)pentanehydrazide

5-(2-methylbutylsulfanyl)pentanehydrazide (PubChem CID 107761022) has the molecular formula C10H22N2OS and a molecular weight of 218.37 g/mol. Its IUPAC name is 5-(2-methylbutylsulfanyl)pentanehydrazide.

Molecular Properties

Compound Name5-(2-methylbutylsulfanyl)pentanehydrazide
PubChem CID107761022
Molecular FormulaC10H22N2OS
Molecular Weight218.37 g/mol
Exact Mass218.15
IUPAC Name5-(2-methylbutylsulfanyl)pentanehydrazide
SMILESCCC(C)CSCCCCC(=O)NN
InChIInChI=1S/C10H22N2OS/c1-3-9(2)8-14-7-5-4-6-10(13)12-11/h9H,3-8,11H2,1-2H3,(H,12,13)
InChIKeyMNQOHWSOJOCTQJ-UHFFFAOYSA-N
XLogP1.93
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.37
LogP ≤ 51.93
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

5-(3-amino-2-methylpropyl)sulfanylpentanehydrazide
CID 66227651
4-(3-amino-2-methylpropyl)sulfanylbutanehydrazide
CID 66224257
11-octadecylsulfanylundecanehydrazide
CID 18183822
5-(2,3-dihydroxypropylsulfanyl)pentanehydrazide
CID 79670922
4-pentylsulfanylbutanehydrazide
CID 107760917
4-ethylsulfanylbutanehydrazide
CID 63581929
N-[4-(hydrazinecarbonylamino)phenyl]-3-(2-methylbutylsulfanyl)propanamide
CID 22974122
4-butylsulfanylbutanehydrazide
CID 63582322
4-[2,3-bis[(4-hydrazinyl-4-oxobutyl)sulfanyl]propylsulfanyl]butanehydrazide;methane
CID 157227391
3-(2-methylbutylsulfanyl)propanoic acid
CID 62105843
methyl 2-amino-2-methyl-6-(2-methylbutylsulfanyl)hexanoate
CID 107756061
N-(2-amino-4-chlorophenyl)-4-(2-methylbutylsulfanyl)butanamide
CID 107749008

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylbutylsulfanyl)pentanehydrazide?
The IUPAC name of 5-(2-methylbutylsulfanyl)pentanehydrazide (CID 107761022) is 5-(2-methylbutylsulfanyl)pentanehydrazide.
What is the SMILES notation for 5-(2-methylbutylsulfanyl)pentanehydrazide?
The canonical SMILES for 5-(2-methylbutylsulfanyl)pentanehydrazide is CCC(C)CSCCCCC(=O)NN.
What is the InChIKey of 5-(2-methylbutylsulfanyl)pentanehydrazide?
The InChIKey is MNQOHWSOJOCTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2OS/c1-3-9(2)8-14-7-5-4-6-10(13)12-11/h9H,3-8,11H2,1-2H3,(H,12,13).
What are the key properties of 5-(2-methylbutylsulfanyl)pentanehydrazide?
5-(2-methylbutylsulfanyl)pentanehydrazide has a molecular weight of 218.37 g/mol, XLogP of 1.93, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylbutylsulfanyl)pentanehydrazide is sourced from PubChem (CID 107761022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).