N-ethyl-6,6-dimethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5-oxothiomorpholine-3-carboxamide

C16H26N4O3S — CID 74241970

IUPACN-ethyl-6,6-dimethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5-oxothiomorpholine-3-carboxamide
SMILESCCN(Cc1noc(CC(C)C)n1)C(=O)C1CSC(C)(C)C(=O)N1
InChIInChI=1S/C16H26N4O3S/c1-6-20(8-12-18-13(23-19-12)7-10(2)3)14(21)11-9-24-16(4,5)15(22)17-11/h10-11H,6-9H2,1-5H3,(H,17,22)
InChIKeyQOVYJJMCBDIMIG-UHFFFAOYSA-N
MW354.48 g/mol
LogP1.63
Rot. Bonds6

About N-ethyl-6,6-dimethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5-oxothiomorpholine-3-carboxamide

N-ethyl-6,6-dimethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5-oxothiomorpholine-3-carboxamide (PubChem CID 74241970) has the molecular formula C16H26N4O3S and a molecular weight of 354.48 g/mol. Its IUPAC name is N-ethyl-6,6-dimethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5-oxothiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-6,6-dimethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5-oxothiomorpholine-3-carboxamide
PubChem CID74241970
Molecular FormulaC16H26N4O3S
Molecular Weight354.48 g/mol
Exact Mass354.17
IUPAC NameN-ethyl-6,6-dimethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5-oxothiomorpholine-3-carboxamide
SMILESCCN(Cc1noc(CC(C)C)n1)C(=O)C1CSC(C)(C)C(=O)N1
InChIInChI=1S/C16H26N4O3S/c1-6-20(8-12-18-13(23-19-12)7-10(2)3)14(21)11-9-24-16(4,5)15(22)17-11/h10-11H,6-9H2,1-5H3,(H,17,22)
InChIKeyQOVYJJMCBDIMIG-UHFFFAOYSA-N
XLogP1.63
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6,6-dimethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5-oxothiomorpholine-3-carboxamide?
The IUPAC name of N-ethyl-6,6-dimethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5-oxothiomorpholine-3-carboxamide (CID 74241970) is N-ethyl-6,6-dimethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5-oxothiomorpholine-3-carboxamide.
What is the SMILES notation for N-ethyl-6,6-dimethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5-oxothiomorpholine-3-carboxamide?
The canonical SMILES for N-ethyl-6,6-dimethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5-oxothiomorpholine-3-carboxamide is CCN(Cc1noc(CC(C)C)n1)C(=O)C1CSC(C)(C)C(=O)N1.
What is the InChIKey of N-ethyl-6,6-dimethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5-oxothiomorpholine-3-carboxamide?
The InChIKey is QOVYJJMCBDIMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3S/c1-6-20(8-12-18-13(23-19-12)7-10(2)3)14(21)11-9-24-16(4,5)15(22)17-11/h10-11H,6-9H2,1-5H3,(H,17,22).
What are the key properties of N-ethyl-6,6-dimethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5-oxothiomorpholine-3-carboxamide?
N-ethyl-6,6-dimethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5-oxothiomorpholine-3-carboxamide has a molecular weight of 354.48 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6,6-dimethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5-oxothiomorpholine-3-carboxamide is sourced from PubChem (CID 74241970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).