2,5-bis(4-methylsulfanylcyclohexyl)-1,3,4-oxadiazolidine

C16H30N2OS2 — CID 140870575

IUPAC2,5-bis(4-methylsulfanylcyclohexyl)-1,3,4-oxadiazolidine
SMILESCSC1CCC(C2NNC(C3CCC(SC)CC3)O2)CC1
InChIInChI=1S/C16H30N2OS2/c1-20-13-7-3-11(4-8-13)15-17-18-16(19-15)12-5-9-14(21-2)10-6-12/h11-18H,3-10H2,1-2H3
InChIKeyYDLQWTDJTWFDBN-UHFFFAOYSA-N
MW330.56 g/mol
LogP3.61
Rot. Bonds4

About 2,5-bis(4-methylsulfanylcyclohexyl)-1,3,4-oxadiazolidine

2,5-bis(4-methylsulfanylcyclohexyl)-1,3,4-oxadiazolidine (PubChem CID 140870575) has the molecular formula C16H30N2OS2 and a molecular weight of 330.56 g/mol. Its IUPAC name is 2,5-bis(4-methylsulfanylcyclohexyl)-1,3,4-oxadiazolidine.

Molecular Properties

Compound Name2,5-bis(4-methylsulfanylcyclohexyl)-1,3,4-oxadiazolidine
PubChem CID140870575
Molecular FormulaC16H30N2OS2
Molecular Weight330.56 g/mol
Exact Mass330.18
IUPAC Name2,5-bis(4-methylsulfanylcyclohexyl)-1,3,4-oxadiazolidine
SMILESCSC1CCC(C2NNC(C3CCC(SC)CC3)O2)CC1
InChIInChI=1S/C16H30N2OS2/c1-20-13-7-3-11(4-8-13)15-17-18-16(19-15)12-5-9-14(21-2)10-6-12/h11-18H,3-10H2,1-2H3
InChIKeyYDLQWTDJTWFDBN-UHFFFAOYSA-N
XLogP3.61
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.56
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(4-methylsulfanylcyclohexyl)-1,3,4-oxadiazolidine?
The IUPAC name of 2,5-bis(4-methylsulfanylcyclohexyl)-1,3,4-oxadiazolidine (CID 140870575) is 2,5-bis(4-methylsulfanylcyclohexyl)-1,3,4-oxadiazolidine.
What is the SMILES notation for 2,5-bis(4-methylsulfanylcyclohexyl)-1,3,4-oxadiazolidine?
The canonical SMILES for 2,5-bis(4-methylsulfanylcyclohexyl)-1,3,4-oxadiazolidine is CSC1CCC(C2NNC(C3CCC(SC)CC3)O2)CC1.
What is the InChIKey of 2,5-bis(4-methylsulfanylcyclohexyl)-1,3,4-oxadiazolidine?
The InChIKey is YDLQWTDJTWFDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2OS2/c1-20-13-7-3-11(4-8-13)15-17-18-16(19-15)12-5-9-14(21-2)10-6-12/h11-18H,3-10H2,1-2H3.
What are the key properties of 2,5-bis(4-methylsulfanylcyclohexyl)-1,3,4-oxadiazolidine?
2,5-bis(4-methylsulfanylcyclohexyl)-1,3,4-oxadiazolidine has a molecular weight of 330.56 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(4-methylsulfanylcyclohexyl)-1,3,4-oxadiazolidine is sourced from PubChem (CID 140870575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).