[(3-methylsulfonylcyclohexyl)-pyrimidin-5-ylmethyl]hydrazine

C12H20N4O2S — CID 102924262

IUPAC[(3-methylsulfonylcyclohexyl)-pyrimidin-5-ylmethyl]hydrazine
SMILESCS(=O)(=O)C1CCCC(C(NN)c2cncnc2)C1
InChIInChI=1S/C12H20N4O2S/c1-19(17,18)11-4-2-3-9(5-11)12(16-13)10-6-14-8-15-7-10/h6-9,11-12,16H,2-5,13H2,1H3
InChIKeyLAOQQKXEOKOJSR-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.58
Rot. Bonds4

About [(3-methylsulfonylcyclohexyl)-pyrimidin-5-ylmethyl]hydrazine

[(3-methylsulfonylcyclohexyl)-pyrimidin-5-ylmethyl]hydrazine (PubChem CID 102924262) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is [(3-methylsulfonylcyclohexyl)-pyrimidin-5-ylmethyl]hydrazine.

Molecular Properties

Compound Name[(3-methylsulfonylcyclohexyl)-pyrimidin-5-ylmethyl]hydrazine
PubChem CID102924262
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC Name[(3-methylsulfonylcyclohexyl)-pyrimidin-5-ylmethyl]hydrazine
SMILESCS(=O)(=O)C1CCCC(C(NN)c2cncnc2)C1
InChIInChI=1S/C12H20N4O2S/c1-19(17,18)11-4-2-3-9(5-11)12(16-13)10-6-14-8-15-7-10/h6-9,11-12,16H,2-5,13H2,1H3
InChIKeyLAOQQKXEOKOJSR-UHFFFAOYSA-N
XLogP0.58
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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 [(3-methylsulfonylcyclohexyl)-pyrimidin-5-ylmethyl]hydrazine?
The IUPAC name of [(3-methylsulfonylcyclohexyl)-pyrimidin-5-ylmethyl]hydrazine (CID 102924262) is [(3-methylsulfonylcyclohexyl)-pyrimidin-5-ylmethyl]hydrazine.
What is the SMILES notation for [(3-methylsulfonylcyclohexyl)-pyrimidin-5-ylmethyl]hydrazine?
The canonical SMILES for [(3-methylsulfonylcyclohexyl)-pyrimidin-5-ylmethyl]hydrazine is CS(=O)(=O)C1CCCC(C(NN)c2cncnc2)C1.
What is the InChIKey of [(3-methylsulfonylcyclohexyl)-pyrimidin-5-ylmethyl]hydrazine?
The InChIKey is LAOQQKXEOKOJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-19(17,18)11-4-2-3-9(5-11)12(16-13)10-6-14-8-15-7-10/h6-9,11-12,16H,2-5,13H2,1H3.
What are the key properties of [(3-methylsulfonylcyclohexyl)-pyrimidin-5-ylmethyl]hydrazine?
[(3-methylsulfonylcyclohexyl)-pyrimidin-5-ylmethyl]hydrazine has a molecular weight of 284.38 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-methylsulfonylcyclohexyl)-pyrimidin-5-ylmethyl]hydrazine is sourced from PubChem (CID 102924262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).