2-hydrazinyl-5-methylhexane-1-sulfonic acid

C7H18N2O3S — CID 175448143

IUPAC2-hydrazinyl-5-methylhexane-1-sulfonic acid
SMILESCC(C)CCC(CS(=O)(=O)O)NN
InChIInChI=1S/C7H18N2O3S/c1-6(2)3-4-7(9-8)5-13(10,11)12/h6-7,9H,3-5,8H2,1-2H3,(H,10,11,12)
InChIKeyVHGOMJDVOQZCPI-UHFFFAOYSA-N
MW210.30 g/mol
LogP0.14
Rot. Bonds6

About 2-hydrazinyl-5-methylhexane-1-sulfonic acid

2-hydrazinyl-5-methylhexane-1-sulfonic acid (PubChem CID 175448143) has the molecular formula C7H18N2O3S and a molecular weight of 210.30 g/mol. Its IUPAC name is 2-hydrazinyl-5-methylhexane-1-sulfonic acid.

Molecular Properties

Compound Name2-hydrazinyl-5-methylhexane-1-sulfonic acid
PubChem CID175448143
Molecular FormulaC7H18N2O3S
Molecular Weight210.30 g/mol
Exact Mass210.10
IUPAC Name2-hydrazinyl-5-methylhexane-1-sulfonic acid
SMILESCC(C)CCC(CS(=O)(=O)O)NN
InChIInChI=1S/C7H18N2O3S/c1-6(2)3-4-7(9-8)5-13(10,11)12/h6-7,9H,3-5,8H2,1-2H3,(H,10,11,12)
InChIKeyVHGOMJDVOQZCPI-UHFFFAOYSA-N
XLogP0.14
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-5-methylhexane-1-sulfonic acid?
The IUPAC name of 2-hydrazinyl-5-methylhexane-1-sulfonic acid (CID 175448143) is 2-hydrazinyl-5-methylhexane-1-sulfonic acid.
What is the SMILES notation for 2-hydrazinyl-5-methylhexane-1-sulfonic acid?
The canonical SMILES for 2-hydrazinyl-5-methylhexane-1-sulfonic acid is CC(C)CCC(CS(=O)(=O)O)NN.
What is the InChIKey of 2-hydrazinyl-5-methylhexane-1-sulfonic acid?
The InChIKey is VHGOMJDVOQZCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O3S/c1-6(2)3-4-7(9-8)5-13(10,11)12/h6-7,9H,3-5,8H2,1-2H3,(H,10,11,12).
What are the key properties of 2-hydrazinyl-5-methylhexane-1-sulfonic acid?
2-hydrazinyl-5-methylhexane-1-sulfonic acid has a molecular weight of 210.30 g/mol, XLogP of 0.14, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-5-methylhexane-1-sulfonic acid is sourced from PubChem (CID 175448143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).