[2-[(2-methylcyclohexyl)carbamoylamino]-2-oxoethyl] 1,1-dioxothiolane-3-carboxylate

C15H24N2O6S — CID 55425667

IUPAC[2-[(2-methylcyclohexyl)carbamoylamino]-2-oxoethyl] 1,1-dioxothiolane-3-carboxylate
SMILESCC1CCCCC1NC(=O)NC(=O)COC(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H24N2O6S/c1-10-4-2-3-5-12(10)16-15(20)17-13(18)8-23-14(19)11-6-7-24(21,22)9-11/h10-12H,2-9H2,1H3,(H2,16,17,18,20)
InChIKeyUHCBCBMSYFRIJH-UHFFFAOYSA-N
MW360.43 g/mol
LogP0.37
Rot. Bonds4

About [2-[(2-methylcyclohexyl)carbamoylamino]-2-oxoethyl] 1,1-dioxothiolane-3-carboxylate

[2-[(2-methylcyclohexyl)carbamoylamino]-2-oxoethyl] 1,1-dioxothiolane-3-carboxylate (PubChem CID 55425667) has the molecular formula C15H24N2O6S and a molecular weight of 360.43 g/mol. Its IUPAC name is [2-[(2-methylcyclohexyl)carbamoylamino]-2-oxoethyl] 1,1-dioxothiolane-3-carboxylate.

Molecular Properties

Compound Name[2-[(2-methylcyclohexyl)carbamoylamino]-2-oxoethyl] 1,1-dioxothiolane-3-carboxylate
PubChem CID55425667
Molecular FormulaC15H24N2O6S
Molecular Weight360.43 g/mol
Exact Mass360.14
IUPAC Name[2-[(2-methylcyclohexyl)carbamoylamino]-2-oxoethyl] 1,1-dioxothiolane-3-carboxylate
SMILESCC1CCCCC1NC(=O)NC(=O)COC(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H24N2O6S/c1-10-4-2-3-5-12(10)16-15(20)17-13(18)8-23-14(19)11-6-7-24(21,22)9-11/h10-12H,2-9H2,1H3,(H2,16,17,18,20)
InChIKeyUHCBCBMSYFRIJH-UHFFFAOYSA-N
XLogP0.37
TPSA118.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[[(1S,2R)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 2-phenoxyacetate
CID 11920173
[2-(benzylcarbamoylamino)-2-oxoethyl] 1,1-dioxothiolane-3-carboxylate
CID 55425984
[2-[[(1S,2R)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 8579280
[2-[[(1S,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 2-(4-bromophenyl)acetate
CID 8764018
[2-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 8579279
[2-[[(1R,2R)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 2-hydroxybenzoate
CID 7798258
[2-[[(1R,2R)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] naphthalene-2-carboxylate
CID 7980769
2-(4-acetamidophenoxy)-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide
CID 7203614
[2-[(2-methylcyclohexyl)carbamoylamino]-2-oxoethyl] 1,5-dimethylpyrazole-4-carboxylate
CID 46693238
[2-[[(1S,2R)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 3-nitrobenzoate
CID 7775213
[2-[(2-methylcyclohexyl)carbamoylamino]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 46791737
[2-[[(1S,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7194099

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methylcyclohexyl)carbamoylamino]-2-oxoethyl] 1,1-dioxothiolane-3-carboxylate?
The IUPAC name of [2-[(2-methylcyclohexyl)carbamoylamino]-2-oxoethyl] 1,1-dioxothiolane-3-carboxylate (CID 55425667) is [2-[(2-methylcyclohexyl)carbamoylamino]-2-oxoethyl] 1,1-dioxothiolane-3-carboxylate.
What is the SMILES notation for [2-[(2-methylcyclohexyl)carbamoylamino]-2-oxoethyl] 1,1-dioxothiolane-3-carboxylate?
The canonical SMILES for [2-[(2-methylcyclohexyl)carbamoylamino]-2-oxoethyl] 1,1-dioxothiolane-3-carboxylate is CC1CCCCC1NC(=O)NC(=O)COC(=O)C1CCS(=O)(=O)C1.
What is the InChIKey of [2-[(2-methylcyclohexyl)carbamoylamino]-2-oxoethyl] 1,1-dioxothiolane-3-carboxylate?
The InChIKey is UHCBCBMSYFRIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O6S/c1-10-4-2-3-5-12(10)16-15(20)17-13(18)8-23-14(19)11-6-7-24(21,22)9-11/h10-12H,2-9H2,1H3,(H2,16,17,18,20).
What are the key properties of [2-[(2-methylcyclohexyl)carbamoylamino]-2-oxoethyl] 1,1-dioxothiolane-3-carboxylate?
[2-[(2-methylcyclohexyl)carbamoylamino]-2-oxoethyl] 1,1-dioxothiolane-3-carboxylate has a molecular weight of 360.43 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methylcyclohexyl)carbamoylamino]-2-oxoethyl] 1,1-dioxothiolane-3-carboxylate is sourced from PubChem (CID 55425667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).