N-benzyl-N-methyl-5-oxothiomorpholine-3-carboxamide

C13H16N2O2S — CID 110695444

IUPACN-benzyl-N-methyl-5-oxothiomorpholine-3-carboxamide
SMILESCN(Cc1ccccc1)C(=O)C1CSCC(=O)N1
InChIInChI=1S/C13H16N2O2S/c1-15(7-10-5-3-2-4-6-10)13(17)11-8-18-9-12(16)14-11/h2-6,11H,7-9H2,1H3,(H,14,16)
InChIKeyDNIWTZOEZBLTBU-UHFFFAOYSA-N
MW264.35 g/mol
LogP0.88
Rot. Bonds3

About N-benzyl-N-methyl-5-oxothiomorpholine-3-carboxamide

N-benzyl-N-methyl-5-oxothiomorpholine-3-carboxamide (PubChem CID 110695444) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is N-benzyl-N-methyl-5-oxothiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-5-oxothiomorpholine-3-carboxamide
PubChem CID110695444
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC NameN-benzyl-N-methyl-5-oxothiomorpholine-3-carboxamide
SMILESCN(Cc1ccccc1)C(=O)C1CSCC(=O)N1
InChIInChI=1S/C13H16N2O2S/c1-15(7-10-5-3-2-4-6-10)13(17)11-8-18-9-12(16)14-11/h2-6,11H,7-9H2,1H3,(H,14,16)
InChIKeyDNIWTZOEZBLTBU-UHFFFAOYSA-N
XLogP0.88
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 110695502
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N-benzyl-N-methyl-1,4-dithiane-2-carboxamide
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N-benzyl-N-methyl-6-oxopiperidine-3-carboxamide
CID 74464257
N-benzyl-N-methylpiperidine-4-carboxamide
CID 5103038
N-[(4-bromophenyl)methyl]-N-methyl-2-oxo-1,3-thiazolidine-4-carboxamide
CID 60864977
5-(4-benzylpiperazine-1-carbonyl)thiomorpholin-3-one
CID 110695468
N-benzyl-N-methyl-5-phenylpyrazolidine-3-carboxamide
CID 78419071
N-benzyl-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 24711803
N-[(4-bromophenyl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide
CID 54869067
N-[(4-tert-butylphenyl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide
CID 60938155
(4S)-N,1-dimethyl-2-oxo-N-[(4-phenoxyphenyl)methyl]imidazolidine-4-carboxamide
CID 95862292

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-5-oxothiomorpholine-3-carboxamide?
The IUPAC name of N-benzyl-N-methyl-5-oxothiomorpholine-3-carboxamide (CID 110695444) is N-benzyl-N-methyl-5-oxothiomorpholine-3-carboxamide.
What is the SMILES notation for N-benzyl-N-methyl-5-oxothiomorpholine-3-carboxamide?
The canonical SMILES for N-benzyl-N-methyl-5-oxothiomorpholine-3-carboxamide is CN(Cc1ccccc1)C(=O)C1CSCC(=O)N1.
What is the InChIKey of N-benzyl-N-methyl-5-oxothiomorpholine-3-carboxamide?
The InChIKey is DNIWTZOEZBLTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-15(7-10-5-3-2-4-6-10)13(17)11-8-18-9-12(16)14-11/h2-6,11H,7-9H2,1H3,(H,14,16).
What are the key properties of N-benzyl-N-methyl-5-oxothiomorpholine-3-carboxamide?
N-benzyl-N-methyl-5-oxothiomorpholine-3-carboxamide has a molecular weight of 264.35 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-5-oxothiomorpholine-3-carboxamide is sourced from PubChem (CID 110695444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).