N-(4-methoxy-4-methylpentan-2-yl)-2,3-dimethylthiomorpholine-4-carboxamide

C14H28N2O2S — CID 71869787

IUPACN-(4-methoxy-4-methylpentan-2-yl)-2,3-dimethylthiomorpholine-4-carboxamide
SMILESCOC(C)(C)CC(C)NC(=O)N1CCSC(C)C1C
InChIInChI=1S/C14H28N2O2S/c1-10(9-14(4,5)18-6)15-13(17)16-7-8-19-12(3)11(16)2/h10-12H,7-9H2,1-6H3,(H,15,17)
InChIKeyCUCIBWFDFMKWFL-UHFFFAOYSA-N
MW288.46 g/mol
LogP2.73
Rot. Bonds4

About N-(4-methoxy-4-methylpentan-2-yl)-2,3-dimethylthiomorpholine-4-carboxamide

N-(4-methoxy-4-methylpentan-2-yl)-2,3-dimethylthiomorpholine-4-carboxamide (PubChem CID 71869787) has the molecular formula C14H28N2O2S and a molecular weight of 288.46 g/mol. Its IUPAC name is N-(4-methoxy-4-methylpentan-2-yl)-2,3-dimethylthiomorpholine-4-carboxamide.

Molecular Properties

Compound NameN-(4-methoxy-4-methylpentan-2-yl)-2,3-dimethylthiomorpholine-4-carboxamide
PubChem CID71869787
Molecular FormulaC14H28N2O2S
Molecular Weight288.46 g/mol
Exact Mass288.19
IUPAC NameN-(4-methoxy-4-methylpentan-2-yl)-2,3-dimethylthiomorpholine-4-carboxamide
SMILESCOC(C)(C)CC(C)NC(=O)N1CCSC(C)C1C
InChIInChI=1S/C14H28N2O2S/c1-10(9-14(4,5)18-6)15-13(17)16-7-8-19-12(3)11(16)2/h10-12H,7-9H2,1-6H3,(H,15,17)
InChIKeyCUCIBWFDFMKWFL-UHFFFAOYSA-N
XLogP2.73
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-4-methylpentan-2-yl)-2,3-dimethylthiomorpholine-4-carboxamide?
The IUPAC name of N-(4-methoxy-4-methylpentan-2-yl)-2,3-dimethylthiomorpholine-4-carboxamide (CID 71869787) is N-(4-methoxy-4-methylpentan-2-yl)-2,3-dimethylthiomorpholine-4-carboxamide.
What is the SMILES notation for N-(4-methoxy-4-methylpentan-2-yl)-2,3-dimethylthiomorpholine-4-carboxamide?
The canonical SMILES for N-(4-methoxy-4-methylpentan-2-yl)-2,3-dimethylthiomorpholine-4-carboxamide is COC(C)(C)CC(C)NC(=O)N1CCSC(C)C1C.
What is the InChIKey of N-(4-methoxy-4-methylpentan-2-yl)-2,3-dimethylthiomorpholine-4-carboxamide?
The InChIKey is CUCIBWFDFMKWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2S/c1-10(9-14(4,5)18-6)15-13(17)16-7-8-19-12(3)11(16)2/h10-12H,7-9H2,1-6H3,(H,15,17).
What are the key properties of N-(4-methoxy-4-methylpentan-2-yl)-2,3-dimethylthiomorpholine-4-carboxamide?
N-(4-methoxy-4-methylpentan-2-yl)-2,3-dimethylthiomorpholine-4-carboxamide has a molecular weight of 288.46 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-4-methylpentan-2-yl)-2,3-dimethylthiomorpholine-4-carboxamide is sourced from PubChem (CID 71869787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).