2-propan-2-ylsulfanylpentanehydrazide

C8H18N2OS — CID 83047069

IUPAC2-propan-2-ylsulfanylpentanehydrazide
SMILESCCCC(SC(C)C)C(=O)NN
InChIInChI=1S/C8H18N2OS/c1-4-5-7(8(11)10-9)12-6(2)3/h6-7H,4-5,9H2,1-3H3,(H,10,11)
InChIKeyLCRCPOHQENFDJX-UHFFFAOYSA-N
MW190.31 g/mol
LogP1.29
Rot. Bonds5

About 2-propan-2-ylsulfanylpentanehydrazide

2-propan-2-ylsulfanylpentanehydrazide (PubChem CID 83047069) has the molecular formula C8H18N2OS and a molecular weight of 190.31 g/mol. Its IUPAC name is 2-propan-2-ylsulfanylpentanehydrazide.

Molecular Properties

Compound Name2-propan-2-ylsulfanylpentanehydrazide
PubChem CID83047069
Molecular FormulaC8H18N2OS
Molecular Weight190.31 g/mol
Exact Mass190.11
IUPAC Name2-propan-2-ylsulfanylpentanehydrazide
SMILESCCCC(SC(C)C)C(=O)NN
InChIInChI=1S/C8H18N2OS/c1-4-5-7(8(11)10-9)12-6(2)3/h6-7H,4-5,9H2,1-3H3,(H,10,11)
InChIKeyLCRCPOHQENFDJX-UHFFFAOYSA-N
XLogP1.29
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 ≤ 51.29
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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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylsulfanylpentanehydrazide?
The IUPAC name of 2-propan-2-ylsulfanylpentanehydrazide (CID 83047069) is 2-propan-2-ylsulfanylpentanehydrazide.
What is the SMILES notation for 2-propan-2-ylsulfanylpentanehydrazide?
The canonical SMILES for 2-propan-2-ylsulfanylpentanehydrazide is CCCC(SC(C)C)C(=O)NN.
What is the InChIKey of 2-propan-2-ylsulfanylpentanehydrazide?
The InChIKey is LCRCPOHQENFDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2OS/c1-4-5-7(8(11)10-9)12-6(2)3/h6-7H,4-5,9H2,1-3H3,(H,10,11).
What are the key properties of 2-propan-2-ylsulfanylpentanehydrazide?
2-propan-2-ylsulfanylpentanehydrazide has a molecular weight of 190.31 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylsulfanylpentanehydrazide is sourced from PubChem (CID 83047069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).