N,N-dimethyl-6-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide

C13H15NO2S — CID 53015438

IUPACN,N-dimethyl-6-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide
SMILESCN(C)C(=O)C1=C(c2ccccc2)OCCS1
InChIInChI=1S/C13H15NO2S/c1-14(2)13(15)12-11(16-8-9-17-12)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
InChIKeySDKNULRLUGXHMR-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.21
Rot. Bonds2

About N,N-dimethyl-6-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide

N,N-dimethyl-6-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide (PubChem CID 53015438) has the molecular formula C13H15NO2S and a molecular weight of 249.34 g/mol. Its IUPAC name is N,N-dimethyl-6-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-6-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide
PubChem CID53015438
Molecular FormulaC13H15NO2S
Molecular Weight249.34 g/mol
Exact Mass249.08
IUPAC NameN,N-dimethyl-6-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide
SMILESCN(C)C(=O)C1=C(c2ccccc2)OCCS1
InChIInChI=1S/C13H15NO2S/c1-14(2)13(15)12-11(16-8-9-17-12)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
InChIKeySDKNULRLUGXHMR-UHFFFAOYSA-N
XLogP2.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N~3~-ethyl-2-phenyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
CID 53015444
6-phenyl-N-propan-2-yl-2,3-dihydro-1,4-oxathiine-5-carboxamide
CID 53015447
N~3~-(cyanomethyl)-N~3~-methyl-2-phenyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
CID 53015550
2H-Pyrrol-2-one, 1,5-dihydro-1-methyl-4-(phenylmethoxy)-
CID 11344716
4-[(4-Fluorophenyl)methoxy]-1-methylpyridin-2-one
CID 70697683
2-[4-(methoxymethyl)phenyl]sulfanyl-N,N-dimethylacetamide
CID 71981222
4-(Benzyloxy)-1-methyl-2-pyridone
CID 13659640
Ethyl 6-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxylate
CID 11368705
3-phenylmethoxy-2H-thiophen-5-one
CID 86101899
N-methyl-2-(4-methylphenyl)-1,4-oxathiine-3-carboxamide
CID 134869869
1-(6-Phenyl-2,3-dihydro-1,4-oxathiin-5-yl)ethanone
CID 134878384
N-methyl-2-(2-methylphenyl)-1,4-oxathiine-3-carboxamide
CID 134892320

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide?
The IUPAC name of N,N-dimethyl-6-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide (CID 53015438) is N,N-dimethyl-6-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide.
What is the SMILES notation for N,N-dimethyl-6-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide?
The canonical SMILES for N,N-dimethyl-6-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide is CN(C)C(=O)C1=C(c2ccccc2)OCCS1.
What is the InChIKey of N,N-dimethyl-6-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide?
The InChIKey is SDKNULRLUGXHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2S/c1-14(2)13(15)12-11(16-8-9-17-12)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3.
What are the key properties of N,N-dimethyl-6-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide?
N,N-dimethyl-6-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide has a molecular weight of 249.34 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide is sourced from PubChem (CID 53015438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).