4-(cyclohexylmethyl)-3H-1,2,3,5-oxathiadiazole

C8H14N2OS — CID 57120975

IUPAC4-(cyclohexylmethyl)-3H-1,2,3,5-oxathiadiazole
SMILESC1CCC(CC2=NOSN2)CC1
InChIInChI=1S/C8H14N2OS/c1-2-4-7(5-3-1)6-8-9-11-12-10-8/h7H,1-6H2,(H,9,10)
InChIKeyWIWOFJJOPMOQFL-UHFFFAOYSA-N
MW186.28 g/mol
LogP2.45
Rot. Bonds2

About 4-(cyclohexylmethyl)-3H-1,2,3,5-oxathiadiazole

4-(cyclohexylmethyl)-3H-1,2,3,5-oxathiadiazole (PubChem CID 57120975) has the molecular formula C8H14N2OS and a molecular weight of 186.28 g/mol. Its IUPAC name is 4-(cyclohexylmethyl)-3H-1,2,3,5-oxathiadiazole.

Molecular Properties

Compound Name4-(cyclohexylmethyl)-3H-1,2,3,5-oxathiadiazole
PubChem CID57120975
Molecular FormulaC8H14N2OS
Molecular Weight186.28 g/mol
Exact Mass186.08
IUPAC Name4-(cyclohexylmethyl)-3H-1,2,3,5-oxathiadiazole
SMILESC1CCC(CC2=NOSN2)CC1
InChIInChI=1S/C8H14N2OS/c1-2-4-7(5-3-1)6-8-9-11-12-10-8/h7H,1-6H2,(H,9,10)
InChIKeyWIWOFJJOPMOQFL-UHFFFAOYSA-N
XLogP2.45
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethyl)-3H-1,2,3,5-oxathiadiazole?
The IUPAC name of 4-(cyclohexylmethyl)-3H-1,2,3,5-oxathiadiazole (CID 57120975) is 4-(cyclohexylmethyl)-3H-1,2,3,5-oxathiadiazole.
What is the SMILES notation for 4-(cyclohexylmethyl)-3H-1,2,3,5-oxathiadiazole?
The canonical SMILES for 4-(cyclohexylmethyl)-3H-1,2,3,5-oxathiadiazole is C1CCC(CC2=NOSN2)CC1.
What is the InChIKey of 4-(cyclohexylmethyl)-3H-1,2,3,5-oxathiadiazole?
The InChIKey is WIWOFJJOPMOQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2OS/c1-2-4-7(5-3-1)6-8-9-11-12-10-8/h7H,1-6H2,(H,9,10).
What are the key properties of 4-(cyclohexylmethyl)-3H-1,2,3,5-oxathiadiazole?
4-(cyclohexylmethyl)-3H-1,2,3,5-oxathiadiazole has a molecular weight of 186.28 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethyl)-3H-1,2,3,5-oxathiadiazole is sourced from PubChem (CID 57120975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).