3-(3-methylbutan-2-ylsulfanyl)propanehydrazide

C8H18N2OS — CID 107760969

IUPAC3-(3-methylbutan-2-ylsulfanyl)propanehydrazide
SMILESCC(C)C(C)SCCC(=O)NN
InChIInChI=1S/C8H18N2OS/c1-6(2)7(3)12-5-4-8(11)10-9/h6-7H,4-5,9H2,1-3H3,(H,10,11)
InChIKeyBMYALEXNNZMBGS-UHFFFAOYSA-N
MW190.31 g/mol
LogP1.14
Rot. Bonds5

About 3-(3-methylbutan-2-ylsulfanyl)propanehydrazide

3-(3-methylbutan-2-ylsulfanyl)propanehydrazide (PubChem CID 107760969) has the molecular formula C8H18N2OS and a molecular weight of 190.31 g/mol. Its IUPAC name is 3-(3-methylbutan-2-ylsulfanyl)propanehydrazide.

Molecular Properties

Compound Name3-(3-methylbutan-2-ylsulfanyl)propanehydrazide
PubChem CID107760969
Molecular FormulaC8H18N2OS
Molecular Weight190.31 g/mol
Exact Mass190.11
IUPAC Name3-(3-methylbutan-2-ylsulfanyl)propanehydrazide
SMILESCC(C)C(C)SCCC(=O)NN
InChIInChI=1S/C8H18N2OS/c1-6(2)7(3)12-5-4-8(11)10-9/h6-7H,4-5,9H2,1-3H3,(H,10,11)
InChIKeyBMYALEXNNZMBGS-UHFFFAOYSA-N
XLogP1.14
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.31
LogP ≤ 51.14
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

3-[1-(3-hydrazinyl-3-oxopropyl)sulfanylethylsulfanyl]propanehydrazide
CID 140969773
4-propan-2-ylsulfanylbutanehydrazide
CID 63581042
methyl 3-(4-hydrazinyl-4-oxobutan-2-yl)sulfanylpropanoate
CID 63582149
butanedihydrazide;hydrochloride
CID 54607274
2-amino-4-(3-methylbutan-2-ylsulfanyl)butanoic acid
CID 107755865
methyl 3-(3-hydrazinyl-3-oxopropyl)sulfanylpropanoate
CID 63580489
4-butylsulfanylbutanehydrazide
CID 63582322
3-methylhexanedihydrazide
CID 141312622
2-[3-(carbamoylamino)-3-oxopropyl]sulfanyl-3-methylbutanoic acid
CID 105354164
4-pentylsulfanylbutanehydrazide
CID 107760917
3-propylsulfanylbutanehydrazide
CID 63582677
3-(1-cyanoethylsulfanyl)-N-methylpropanamide
CID 131227678

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbutan-2-ylsulfanyl)propanehydrazide?
The IUPAC name of 3-(3-methylbutan-2-ylsulfanyl)propanehydrazide (CID 107760969) is 3-(3-methylbutan-2-ylsulfanyl)propanehydrazide.
What is the SMILES notation for 3-(3-methylbutan-2-ylsulfanyl)propanehydrazide?
The canonical SMILES for 3-(3-methylbutan-2-ylsulfanyl)propanehydrazide is CC(C)C(C)SCCC(=O)NN.
What is the InChIKey of 3-(3-methylbutan-2-ylsulfanyl)propanehydrazide?
The InChIKey is BMYALEXNNZMBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2OS/c1-6(2)7(3)12-5-4-8(11)10-9/h6-7H,4-5,9H2,1-3H3,(H,10,11).
What are the key properties of 3-(3-methylbutan-2-ylsulfanyl)propanehydrazide?
3-(3-methylbutan-2-ylsulfanyl)propanehydrazide has a molecular weight of 190.31 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbutan-2-ylsulfanyl)propanehydrazide is sourced from PubChem (CID 107760969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).