4-[3-(methylsulfinylmethyl)benzoyl]morpholine-2-carboxamide

C14H18N2O4S — CID 49418686

IUPAC4-[3-(methylsulfinylmethyl)benzoyl]morpholine-2-carboxamide
SMILESCS(=O)Cc1cccc(C(=O)N2CCOC(C(N)=O)C2)c1
InChIInChI=1S/C14H18N2O4S/c1-21(19)9-10-3-2-4-11(7-10)14(18)16-5-6-20-12(8-16)13(15)17/h2-4,7,12H,5-6,8-9H2,1H3,(H2,15,17)
InChIKeyCMENWFMTSUPFIQ-UHFFFAOYSA-N
MW310.38 g/mol
LogP-0.11
Rot. Bonds4

About 4-[3-(methylsulfinylmethyl)benzoyl]morpholine-2-carboxamide

4-[3-(methylsulfinylmethyl)benzoyl]morpholine-2-carboxamide (PubChem CID 49418686) has the molecular formula C14H18N2O4S and a molecular weight of 310.38 g/mol. Its IUPAC name is 4-[3-(methylsulfinylmethyl)benzoyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name4-[3-(methylsulfinylmethyl)benzoyl]morpholine-2-carboxamide
PubChem CID49418686
Molecular FormulaC14H18N2O4S
Molecular Weight310.38 g/mol
Exact Mass310.10
IUPAC Name4-[3-(methylsulfinylmethyl)benzoyl]morpholine-2-carboxamide
SMILESCS(=O)Cc1cccc(C(=O)N2CCOC(C(N)=O)C2)c1
InChIInChI=1S/C14H18N2O4S/c1-21(19)9-10-3-2-4-11(7-10)14(18)16-5-6-20-12(8-16)13(15)17/h2-4,7,12H,5-6,8-9H2,1H3,(H2,15,17)
InChIKeyCMENWFMTSUPFIQ-UHFFFAOYSA-N
XLogP-0.11
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-2-ethylmorpholin-4-yl]-[3-[[(R)-methylsulfinyl]methyl]phenyl]methanone
CID 94014410
methyl 4-[3-(chloromethyl)benzoyl]morpholine-2-carboxylate
CID 115534248
4-(3-bromobenzoyl)morpholine-2-carbothioamide
CID 79674488
(4-cyclopentylpiperazin-1-yl)-[3-(methylsulfinylmethyl)phenyl]methanone
CID 134020797
[1-[3-(methylsulfinylmethyl)benzoyl]piperidin-4-yl]-phenylmethanone
CID 18145982
methyl 4-(3-methylbenzoyl)morpholine-2-carboxylate
CID 78926771
(2R)-4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)morpholine-2-carboxamide
CID 94371347
(2S)-4-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]morpholine-2-carboxylic acid
CID 95891521
[4-(furan-2-ylmethyl)piperazin-1-yl]-[3-[[(S)-methylsulfinyl]methyl]phenyl]methanone
CID 94536612
[3-(methylsulfinylmethyl)phenyl]-[3-[5-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone
CID 75448815
3-[2-(hydroxymethyl)morpholine-4-carbonyl]benzenecarbothioamide
CID 81203400
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[3-[[(R)-methylsulfinyl]methyl]phenyl]methanone
CID 42160311

Frequently Asked Questions

What is the IUPAC name of 4-[3-(methylsulfinylmethyl)benzoyl]morpholine-2-carboxamide?
The IUPAC name of 4-[3-(methylsulfinylmethyl)benzoyl]morpholine-2-carboxamide (CID 49418686) is 4-[3-(methylsulfinylmethyl)benzoyl]morpholine-2-carboxamide.
What is the SMILES notation for 4-[3-(methylsulfinylmethyl)benzoyl]morpholine-2-carboxamide?
The canonical SMILES for 4-[3-(methylsulfinylmethyl)benzoyl]morpholine-2-carboxamide is CS(=O)Cc1cccc(C(=O)N2CCOC(C(N)=O)C2)c1.
What is the InChIKey of 4-[3-(methylsulfinylmethyl)benzoyl]morpholine-2-carboxamide?
The InChIKey is CMENWFMTSUPFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S/c1-21(19)9-10-3-2-4-11(7-10)14(18)16-5-6-20-12(8-16)13(15)17/h2-4,7,12H,5-6,8-9H2,1H3,(H2,15,17).
What are the key properties of 4-[3-(methylsulfinylmethyl)benzoyl]morpholine-2-carboxamide?
4-[3-(methylsulfinylmethyl)benzoyl]morpholine-2-carboxamide has a molecular weight of 310.38 g/mol, XLogP of -0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methylsulfinylmethyl)benzoyl]morpholine-2-carboxamide is sourced from PubChem (CID 49418686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).