5-propan-2-ylsulfanylpentanehydrazide

C8H18N2OS — CID 63581414

IUPAC5-propan-2-ylsulfanylpentanehydrazide
SMILESCC(C)SCCCCC(=O)NN
InChIInChI=1S/C8H18N2OS/c1-7(2)12-6-4-3-5-8(11)10-9/h7H,3-6,9H2,1-2H3,(H,10,11)
InChIKeyILPQQOHBPHOTQY-UHFFFAOYSA-N
MW190.31 g/mol
LogP1.29
Rot. Bonds6

About 5-propan-2-ylsulfanylpentanehydrazide

5-propan-2-ylsulfanylpentanehydrazide (PubChem CID 63581414) has the molecular formula C8H18N2OS and a molecular weight of 190.31 g/mol. Its IUPAC name is 5-propan-2-ylsulfanylpentanehydrazide.

Molecular Properties

Compound Name5-propan-2-ylsulfanylpentanehydrazide
PubChem CID63581414
Molecular FormulaC8H18N2OS
Molecular Weight190.31 g/mol
Exact Mass190.11
IUPAC Name5-propan-2-ylsulfanylpentanehydrazide
SMILESCC(C)SCCCCC(=O)NN
InChIInChI=1S/C8H18N2OS/c1-7(2)12-6-4-3-5-8(11)10-9/h7H,3-6,9H2,1-2H3,(H,10,11)
InChIKeyILPQQOHBPHOTQY-UHFFFAOYSA-N
XLogP1.29
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.31
LogP ≤ 51.29
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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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-ylsulfanylpentanehydrazide?
The IUPAC name of 5-propan-2-ylsulfanylpentanehydrazide (CID 63581414) is 5-propan-2-ylsulfanylpentanehydrazide.
What is the SMILES notation for 5-propan-2-ylsulfanylpentanehydrazide?
The canonical SMILES for 5-propan-2-ylsulfanylpentanehydrazide is CC(C)SCCCCC(=O)NN.
What is the InChIKey of 5-propan-2-ylsulfanylpentanehydrazide?
The InChIKey is ILPQQOHBPHOTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2OS/c1-7(2)12-6-4-3-5-8(11)10-9/h7H,3-6,9H2,1-2H3,(H,10,11).
What are the key properties of 5-propan-2-ylsulfanylpentanehydrazide?
5-propan-2-ylsulfanylpentanehydrazide has a molecular weight of 190.31 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-ylsulfanylpentanehydrazide is sourced from PubChem (CID 63581414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).