N-(1-methyl-2,6-dioxopiperidin-3-yl)thiomorpholine-3-carboxamide

C11H17N3O3S — CID 82915610

IUPACN-(1-methyl-2,6-dioxopiperidin-3-yl)thiomorpholine-3-carboxamide
SMILESCN1C(=O)CCC(NC(=O)C2CSCCN2)C1=O
InChIInChI=1S/C11H17N3O3S/c1-14-9(15)3-2-7(11(14)17)13-10(16)8-6-18-5-4-12-8/h7-8,12H,2-6H2,1H3,(H,13,16)
InChIKeyTZMOGKMOAXDFRY-UHFFFAOYSA-N
MW271.34 g/mol
LogP-1.04
Rot. Bonds2

About N-(1-methyl-2,6-dioxopiperidin-3-yl)thiomorpholine-3-carboxamide

N-(1-methyl-2,6-dioxopiperidin-3-yl)thiomorpholine-3-carboxamide (PubChem CID 82915610) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is N-(1-methyl-2,6-dioxopiperidin-3-yl)thiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-(1-methyl-2,6-dioxopiperidin-3-yl)thiomorpholine-3-carboxamide
PubChem CID82915610
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC NameN-(1-methyl-2,6-dioxopiperidin-3-yl)thiomorpholine-3-carboxamide
SMILESCN1C(=O)CCC(NC(=O)C2CSCCN2)C1=O
InChIInChI=1S/C11H17N3O3S/c1-14-9(15)3-2-7(11(14)17)13-10(16)8-6-18-5-4-12-8/h7-8,12H,2-6H2,1H3,(H,13,16)
InChIKeyTZMOGKMOAXDFRY-UHFFFAOYSA-N
XLogP-1.04
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-2,6-dioxopiperidin-3-yl)thiomorpholine-3-carboxamide?
The IUPAC name of N-(1-methyl-2,6-dioxopiperidin-3-yl)thiomorpholine-3-carboxamide (CID 82915610) is N-(1-methyl-2,6-dioxopiperidin-3-yl)thiomorpholine-3-carboxamide.
What is the SMILES notation for N-(1-methyl-2,6-dioxopiperidin-3-yl)thiomorpholine-3-carboxamide?
The canonical SMILES for N-(1-methyl-2,6-dioxopiperidin-3-yl)thiomorpholine-3-carboxamide is CN1C(=O)CCC(NC(=O)C2CSCCN2)C1=O.
What is the InChIKey of N-(1-methyl-2,6-dioxopiperidin-3-yl)thiomorpholine-3-carboxamide?
The InChIKey is TZMOGKMOAXDFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-14-9(15)3-2-7(11(14)17)13-10(16)8-6-18-5-4-12-8/h7-8,12H,2-6H2,1H3,(H,13,16).
What are the key properties of N-(1-methyl-2,6-dioxopiperidin-3-yl)thiomorpholine-3-carboxamide?
N-(1-methyl-2,6-dioxopiperidin-3-yl)thiomorpholine-3-carboxamide has a molecular weight of 271.34 g/mol, XLogP of -1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-2,6-dioxopiperidin-3-yl)thiomorpholine-3-carboxamide is sourced from PubChem (CID 82915610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).