4-pentylsulfanylbutanehydrazide

C9H20N2OS — CID 107760917

IUPAC4-pentylsulfanylbutanehydrazide
SMILESCCCCCSCCCC(=O)NN
InChIInChI=1S/C9H20N2OS/c1-2-3-4-7-13-8-5-6-9(12)11-10/h2-8,10H2,1H3,(H,11,12)
InChIKeyGMGNPGLMHOGVKY-UHFFFAOYSA-N
MW204.34 g/mol
LogP1.68
Rot. Bonds8

About 4-pentylsulfanylbutanehydrazide

4-pentylsulfanylbutanehydrazide (PubChem CID 107760917) has the molecular formula C9H20N2OS and a molecular weight of 204.34 g/mol. Its IUPAC name is 4-pentylsulfanylbutanehydrazide.

Molecular Properties

Compound Name4-pentylsulfanylbutanehydrazide
PubChem CID107760917
Molecular FormulaC9H20N2OS
Molecular Weight204.34 g/mol
Exact Mass204.13
IUPAC Name4-pentylsulfanylbutanehydrazide
SMILESCCCCCSCCCC(=O)NN
InChIInChI=1S/C9H20N2OS/c1-2-3-4-7-13-8-5-6-9(12)11-10/h2-8,10H2,1H3,(H,11,12)
InChIKeyGMGNPGLMHOGVKY-UHFFFAOYSA-N
XLogP1.68
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 51.68
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

11-octadecylsulfanylundecanehydrazide
CID 18183822
4-butylsulfanylbutanehydrazide
CID 63582322
4-ethylsulfanylbutanehydrazide
CID 63581929
2-pentylsulfanylacetohydrazide
CID 107760927
hexanehydrazide;2,2,2-trifluoroacetic acid
CID 161488585
5-(2-methylbutylsulfanyl)pentanehydrazide
CID 107761022
4-propan-2-ylsulfanylbutanehydrazide
CID 63581042
N-(4-aminophenyl)-4-pentylsulfanylbutanamide
CID 107748509
(E)-octadec-9-enehydrazide
CID 6281873
6-[2-[6-(decylamino)-6-oxohexyl]sulfanylethylsulfanyl]-N-octylhexanamide
CID 71350823
4-[2,3-bis[(4-hydrazinyl-4-oxobutyl)sulfanyl]propylsulfanyl]butanehydrazide;methane
CID 157227391
3-octadecylsulfanylpropanamide
CID 21260142

Frequently Asked Questions

What is the IUPAC name of 4-pentylsulfanylbutanehydrazide?
The IUPAC name of 4-pentylsulfanylbutanehydrazide (CID 107760917) is 4-pentylsulfanylbutanehydrazide.
What is the SMILES notation for 4-pentylsulfanylbutanehydrazide?
The canonical SMILES for 4-pentylsulfanylbutanehydrazide is CCCCCSCCCC(=O)NN.
What is the InChIKey of 4-pentylsulfanylbutanehydrazide?
The InChIKey is GMGNPGLMHOGVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2OS/c1-2-3-4-7-13-8-5-6-9(12)11-10/h2-8,10H2,1H3,(H,11,12).
What are the key properties of 4-pentylsulfanylbutanehydrazide?
4-pentylsulfanylbutanehydrazide has a molecular weight of 204.34 g/mol, XLogP of 1.68, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentylsulfanylbutanehydrazide is sourced from PubChem (CID 107760917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).