3-cyclohexyl-1-(thiolan-2-ylmethyl)piperazine-2,5-dione

C15H24N2O2S — CID 80586867

IUPAC3-cyclohexyl-1-(thiolan-2-ylmethyl)piperazine-2,5-dione
SMILESO=C1CN(CC2CCCS2)C(=O)C(C2CCCCC2)N1
InChIInChI=1S/C15H24N2O2S/c18-13-10-17(9-12-7-4-8-20-12)15(19)14(16-13)11-5-2-1-3-6-11/h11-12,14H,1-10H2,(H,16,18)
InChIKeySWZDSJWYCMHRKH-UHFFFAOYSA-N
MW296.44 g/mol
LogP1.79
Rot. Bonds3

About 3-cyclohexyl-1-(thiolan-2-ylmethyl)piperazine-2,5-dione

3-cyclohexyl-1-(thiolan-2-ylmethyl)piperazine-2,5-dione (PubChem CID 80586867) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 3-cyclohexyl-1-(thiolan-2-ylmethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclohexyl-1-(thiolan-2-ylmethyl)piperazine-2,5-dione
PubChem CID80586867
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name3-cyclohexyl-1-(thiolan-2-ylmethyl)piperazine-2,5-dione
SMILESO=C1CN(CC2CCCS2)C(=O)C(C2CCCCC2)N1
InChIInChI=1S/C15H24N2O2S/c18-13-10-17(9-12-7-4-8-20-12)15(19)14(16-13)11-5-2-1-3-6-11/h11-12,14H,1-10H2,(H,16,18)
InChIKeySWZDSJWYCMHRKH-UHFFFAOYSA-N
XLogP1.79
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclohexyl-1-(oxan-4-ylmethyl)piperazine-2,5-dione
CID 64881332
3-cyclohexyl-1-prop-2-ynylpiperazine-2,5-dione
CID 64963666
3-cyclopropyl-1-(oxolan-2-ylmethyl)piperazine-2,5-dione
CID 64879241
3-cyclohexyl-1-(4-methylpentyl)piperazine-2,5-dione
CID 64970548
3-cyclohexyl-1-(cyclopentylmethyl)-1,4-diazepane-2,5-dione
CID 64881695
3-cyclopropyl-6-ethyl-1-(thian-2-ylmethyl)piperazine-2,5-dione
CID 80612398
3-cyclohexyl-1-[2-(cyclopenten-1-yl)ethyl]piperazine-2,5-dione
CID 106172026
2-(thian-2-ylmethyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 80611986
3-cyclopropyl-1-propylpiperazine-2,5-dione
CID 64879619
3-(thian-2-ylmethyl)imidazolidin-4-one
CID 83270608
3-cyclohexyl-1-(2,2-dimethylpropyl)-1,4-diazepane-2,5-dione
CID 64963843
1-(thiolan-2-ylmethyl)-1,4-diazepane-2,5-dione
CID 80587098

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-(thiolan-2-ylmethyl)piperazine-2,5-dione?
The IUPAC name of 3-cyclohexyl-1-(thiolan-2-ylmethyl)piperazine-2,5-dione (CID 80586867) is 3-cyclohexyl-1-(thiolan-2-ylmethyl)piperazine-2,5-dione.
What is the SMILES notation for 3-cyclohexyl-1-(thiolan-2-ylmethyl)piperazine-2,5-dione?
The canonical SMILES for 3-cyclohexyl-1-(thiolan-2-ylmethyl)piperazine-2,5-dione is O=C1CN(CC2CCCS2)C(=O)C(C2CCCCC2)N1.
What is the InChIKey of 3-cyclohexyl-1-(thiolan-2-ylmethyl)piperazine-2,5-dione?
The InChIKey is SWZDSJWYCMHRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c18-13-10-17(9-12-7-4-8-20-12)15(19)14(16-13)11-5-2-1-3-6-11/h11-12,14H,1-10H2,(H,16,18).
What are the key properties of 3-cyclohexyl-1-(thiolan-2-ylmethyl)piperazine-2,5-dione?
3-cyclohexyl-1-(thiolan-2-ylmethyl)piperazine-2,5-dione has a molecular weight of 296.44 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(thiolan-2-ylmethyl)piperazine-2,5-dione is sourced from PubChem (CID 80586867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).