4-propan-2-ylsulfanylbutanehydrazide

C7H16N2OS — CID 63581042

IUPAC4-propan-2-ylsulfanylbutanehydrazide
SMILESCC(C)SCCCC(=O)NN
InChIInChI=1S/C7H16N2OS/c1-6(2)11-5-3-4-7(10)9-8/h6H,3-5,8H2,1-2H3,(H,9,10)
InChIKeyFKRKLGRNNIUDSK-UHFFFAOYSA-N
MW176.28 g/mol
LogP0.90
Rot. Bonds5

About 4-propan-2-ylsulfanylbutanehydrazide

4-propan-2-ylsulfanylbutanehydrazide (PubChem CID 63581042) has the molecular formula C7H16N2OS and a molecular weight of 176.28 g/mol. Its IUPAC name is 4-propan-2-ylsulfanylbutanehydrazide.

Molecular Properties

Compound Name4-propan-2-ylsulfanylbutanehydrazide
PubChem CID63581042
Molecular FormulaC7H16N2OS
Molecular Weight176.28 g/mol
Exact Mass176.10
IUPAC Name4-propan-2-ylsulfanylbutanehydrazide
SMILESCC(C)SCCCC(=O)NN
InChIInChI=1S/C7H16N2OS/c1-6(2)11-5-3-4-7(10)9-8/h6H,3-5,8H2,1-2H3,(H,9,10)
InChIKeyFKRKLGRNNIUDSK-UHFFFAOYSA-N
XLogP0.90
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.28
LogP ≤ 50.90
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

4-butylsulfanylbutanehydrazide
CID 63582322
3-[1-(3-hydrazinyl-3-oxopropyl)sulfanylethylsulfanyl]propanehydrazide
CID 140969773
4-pentylsulfanylbutanehydrazide
CID 107760917
4-[2,3-bis[(4-hydrazinyl-4-oxobutyl)sulfanyl]propylsulfanyl]butanehydrazide;methane
CID 157227391
4-ethylsulfanylbutanehydrazide
CID 63581929
4-(3-amino-2-methylpropyl)sulfanylbutanehydrazide
CID 66224257
3-(3-methylbutan-2-ylsulfanyl)propanehydrazide
CID 107760969
hexanedihydrazide;pentanedihydrazide
CID 157195533
5-(3-amino-2-methylpropyl)sulfanylpentanehydrazide
CID 66227651
5-(2-methylbutylsulfanyl)pentanehydrazide
CID 107761022
11-octadecylsulfanylundecanehydrazide
CID 18183822
N-(4-amino-2-methylphenyl)-4-propan-2-ylsulfanylbutanamide
CID 60884711

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-ylsulfanylbutanehydrazide?
The IUPAC name of 4-propan-2-ylsulfanylbutanehydrazide (CID 63581042) is 4-propan-2-ylsulfanylbutanehydrazide.
What is the SMILES notation for 4-propan-2-ylsulfanylbutanehydrazide?
The canonical SMILES for 4-propan-2-ylsulfanylbutanehydrazide is CC(C)SCCCC(=O)NN.
What is the InChIKey of 4-propan-2-ylsulfanylbutanehydrazide?
The InChIKey is FKRKLGRNNIUDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2OS/c1-6(2)11-5-3-4-7(10)9-8/h6H,3-5,8H2,1-2H3,(H,9,10).
What are the key properties of 4-propan-2-ylsulfanylbutanehydrazide?
4-propan-2-ylsulfanylbutanehydrazide has a molecular weight of 176.28 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-ylsulfanylbutanehydrazide is sourced from PubChem (CID 63581042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).