N-(2,6-dimethylmorpholine-4-carbothioyl)furan-2-carboxamide

C12H16N2O3S — CID 2920588

IUPACN-(2,6-dimethylmorpholine-4-carbothioyl)furan-2-carboxamide
SMILESCC1CN(C(=S)NC(=O)c2ccco2)CC(C)O1
InChIInChI=1S/C12H16N2O3S/c1-8-6-14(7-9(2)17-8)12(18)13-11(15)10-4-3-5-16-10/h3-5,8-9H,6-7H2,1-2H3,(H,13,15,18)
InChIKeyLQEIOZKCJXGBKV-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.40
Rot. Bonds1

About N-(2,6-dimethylmorpholine-4-carbothioyl)furan-2-carboxamide

N-(2,6-dimethylmorpholine-4-carbothioyl)furan-2-carboxamide (PubChem CID 2920588) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is N-(2,6-dimethylmorpholine-4-carbothioyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylmorpholine-4-carbothioyl)furan-2-carboxamide
PubChem CID2920588
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC NameN-(2,6-dimethylmorpholine-4-carbothioyl)furan-2-carboxamide
SMILESCC1CN(C(=S)NC(=O)c2ccco2)CC(C)O1
InChIInChI=1S/C12H16N2O3S/c1-8-6-14(7-9(2)17-8)12(18)13-11(15)10-4-3-5-16-10/h3-5,8-9H,6-7H2,1-2H3,(H,13,15,18)
InChIKeyLQEIOZKCJXGBKV-UHFFFAOYSA-N
XLogP1.40
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylmorpholine-4-carbothioyl)furan-2-carboxamide?
The IUPAC name of N-(2,6-dimethylmorpholine-4-carbothioyl)furan-2-carboxamide (CID 2920588) is N-(2,6-dimethylmorpholine-4-carbothioyl)furan-2-carboxamide.
What is the SMILES notation for N-(2,6-dimethylmorpholine-4-carbothioyl)furan-2-carboxamide?
The canonical SMILES for N-(2,6-dimethylmorpholine-4-carbothioyl)furan-2-carboxamide is CC1CN(C(=S)NC(=O)c2ccco2)CC(C)O1.
What is the InChIKey of N-(2,6-dimethylmorpholine-4-carbothioyl)furan-2-carboxamide?
The InChIKey is LQEIOZKCJXGBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-8-6-14(7-9(2)17-8)12(18)13-11(15)10-4-3-5-16-10/h3-5,8-9H,6-7H2,1-2H3,(H,13,15,18).
What are the key properties of N-(2,6-dimethylmorpholine-4-carbothioyl)furan-2-carboxamide?
N-(2,6-dimethylmorpholine-4-carbothioyl)furan-2-carboxamide has a molecular weight of 268.34 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylmorpholine-4-carbothioyl)furan-2-carboxamide is sourced from PubChem (CID 2920588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).