(2-sulfinatohydrazinyl)cyclohexane

C6H13N2O2S- — CID 118045286

IUPAC(2-sulfinatohydrazinyl)cyclohexane
SMILESO=S([O-])NNC1CCCCC1
InChIInChI=1S/C6H14N2O2S/c9-11(10)8-7-6-4-2-1-3-5-6/h6-8H,1-5H2,(H,9,10)/p-1
InChIKeyIBMFJOLTCNWPNY-UHFFFAOYSA-M
MW177.25 g/mol
LogP0.21
Rot. Bonds3

About (2-sulfinatohydrazinyl)cyclohexane

(2-sulfinatohydrazinyl)cyclohexane (PubChem CID 118045286) has the molecular formula C6H13N2O2S- and a molecular weight of 177.25 g/mol. Its IUPAC name is (2-sulfinatohydrazinyl)cyclohexane.

Molecular Properties

Compound Name(2-sulfinatohydrazinyl)cyclohexane
PubChem CID118045286
Molecular FormulaC6H13N2O2S-
Molecular Weight177.25 g/mol
Exact Mass177.07
IUPAC Name(2-sulfinatohydrazinyl)cyclohexane
SMILESO=S([O-])NNC1CCCCC1
InChIInChI=1S/C6H14N2O2S/c9-11(10)8-7-6-4-2-1-3-5-6/h6-8H,1-5H2,(H,9,10)/p-1
InChIKeyIBMFJOLTCNWPNY-UHFFFAOYSA-M
XLogP0.21
TPSA64.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-sulfinatohydrazinyl)cyclohexane?
The IUPAC name of (2-sulfinatohydrazinyl)cyclohexane (CID 118045286) is (2-sulfinatohydrazinyl)cyclohexane.
What is the SMILES notation for (2-sulfinatohydrazinyl)cyclohexane?
The canonical SMILES for (2-sulfinatohydrazinyl)cyclohexane is O=S([O-])NNC1CCCCC1.
What is the InChIKey of (2-sulfinatohydrazinyl)cyclohexane?
The InChIKey is IBMFJOLTCNWPNY-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H14N2O2S/c9-11(10)8-7-6-4-2-1-3-5-6/h6-8H,1-5H2,(H,9,10)/p-1.
What are the key properties of (2-sulfinatohydrazinyl)cyclohexane?
(2-sulfinatohydrazinyl)cyclohexane has a molecular weight of 177.25 g/mol, XLogP of 0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-sulfinatohydrazinyl)cyclohexane is sourced from PubChem (CID 118045286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).