N-methyl-4-(4-sulfanylbenzoyl)morpholine-3-carboxamide

C13H16N2O3S — CID 107034036

IUPACN-methyl-4-(4-sulfanylbenzoyl)morpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1C(=O)c1ccc(S)cc1
InChIInChI=1S/C13H16N2O3S/c1-14-12(16)11-8-18-7-6-15(11)13(17)9-2-4-10(19)5-3-9/h2-5,11,19H,6-8H2,1H3,(H,14,16)
InChIKeyOPZUMIZZNNAVHZ-UHFFFAOYSA-N
MW280.35 g/mol
LogP0.56
Rot. Bonds2

About N-methyl-4-(4-sulfanylbenzoyl)morpholine-3-carboxamide

N-methyl-4-(4-sulfanylbenzoyl)morpholine-3-carboxamide (PubChem CID 107034036) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is N-methyl-4-(4-sulfanylbenzoyl)morpholine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-4-(4-sulfanylbenzoyl)morpholine-3-carboxamide
PubChem CID107034036
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC NameN-methyl-4-(4-sulfanylbenzoyl)morpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1C(=O)c1ccc(S)cc1
InChIInChI=1S/C13H16N2O3S/c1-14-12(16)11-8-18-7-6-15(11)13(17)9-2-4-10(19)5-3-9/h2-5,11,19H,6-8H2,1H3,(H,14,16)
InChIKeyOPZUMIZZNNAVHZ-UHFFFAOYSA-N
XLogP0.56
TPSA58.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze N-methyl-4-(4-sulfanylbenzoyl)morpholine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-amino-3-methylbenzoyl)-N-methylmorpholine-3-carboxamide
CID 83107171
4-(2-fluoro-5-sulfanylbenzoyl)-N-methylmorpholine-3-carboxamide
CID 107034027
4-(3-amino-4-chlorobenzoyl)-N-methylmorpholine-3-carboxamide
CID 83106686
4-(3-bromo-4-fluorobenzoyl)-N-methylmorpholine-3-carboxamide
CID 107953181
4-(3-bromo-5-methylbenzoyl)-N-methylmorpholine-3-carboxamide
CID 104852956
4-(4-amino-2-methylbenzoyl)-N-methylmorpholine-3-carboxamide
CID 83107032
4-(2-amino-4-bromobenzoyl)-N-methylmorpholine-3-carboxamide
CID 83098009
4-(5,6-dichloropyridine-3-carbonyl)-N-methylmorpholine-3-carboxamide
CID 83097617
4-(2-amino-6-methylbenzoyl)-N-methylmorpholine-3-carboxamide
CID 83106473
4-(4,5-dibromothiophene-2-carbonyl)-N-methylmorpholine-3-carboxamide
CID 83099962
N-cyclopropyl-4-(4-iodobenzoyl)morpholine-3-carboxamide
CID 83102563
4-(2-fluoro-4-methylbenzoyl)-N-methylmorpholine-3-carboxamide
CID 83097227

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(4-sulfanylbenzoyl)morpholine-3-carboxamide?
The IUPAC name of N-methyl-4-(4-sulfanylbenzoyl)morpholine-3-carboxamide (CID 107034036) is N-methyl-4-(4-sulfanylbenzoyl)morpholine-3-carboxamide.
What is the SMILES notation for N-methyl-4-(4-sulfanylbenzoyl)morpholine-3-carboxamide?
The canonical SMILES for N-methyl-4-(4-sulfanylbenzoyl)morpholine-3-carboxamide is CNC(=O)C1COCCN1C(=O)c1ccc(S)cc1.
What is the InChIKey of N-methyl-4-(4-sulfanylbenzoyl)morpholine-3-carboxamide?
The InChIKey is OPZUMIZZNNAVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-14-12(16)11-8-18-7-6-15(11)13(17)9-2-4-10(19)5-3-9/h2-5,11,19H,6-8H2,1H3,(H,14,16).
What are the key properties of N-methyl-4-(4-sulfanylbenzoyl)morpholine-3-carboxamide?
N-methyl-4-(4-sulfanylbenzoyl)morpholine-3-carboxamide has a molecular weight of 280.35 g/mol, XLogP of 0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(4-sulfanylbenzoyl)morpholine-3-carboxamide is sourced from PubChem (CID 107034036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).