4-acetyl-N-methylthiomorpholine-3-carboxamide

C8H14N2O2S — CID 5254752

IUPAC4-acetyl-N-methylthiomorpholine-3-carboxamide
SMILESCNC(=O)C1CSCCN1C(C)=O
InChIInChI=1S/C8H14N2O2S/c1-6(11)10-3-4-13-5-7(10)8(12)9-2/h7H,3-5H2,1-2H3,(H,9,12)
InChIKeyZYRHPLXXKTYNII-UHFFFAOYSA-N
MW202.28 g/mol
LogP-0.30
Rot. Bonds1

About 4-acetyl-N-methylthiomorpholine-3-carboxamide

4-acetyl-N-methylthiomorpholine-3-carboxamide (PubChem CID 5254752) has the molecular formula C8H14N2O2S and a molecular weight of 202.28 g/mol. Its IUPAC name is 4-acetyl-N-methylthiomorpholine-3-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-methylthiomorpholine-3-carboxamide
PubChem CID5254752
Molecular FormulaC8H14N2O2S
Molecular Weight202.28 g/mol
Exact Mass202.08
IUPAC Name4-acetyl-N-methylthiomorpholine-3-carboxamide
SMILESCNC(=O)C1CSCCN1C(C)=O
InChIInChI=1S/C8H14N2O2S/c1-6(11)10-3-4-13-5-7(10)8(12)9-2/h7H,3-5H2,1-2H3,(H,9,12)
InChIKeyZYRHPLXXKTYNII-UHFFFAOYSA-N
XLogP-0.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-2-(2-methyl-3,5-dioxothiomorpholin-4-yl)acetamide
CID 5157994
Ethanethioic acid, S-(2-(((2R)-2-(acetylamino)-3-mercapto-1-oxopropyl)amino)ethyl)ester
CID 484333
2,5-Dimethyl-5,6-dihydro-2H-1,4-thiazin-3-ol
CID 95534
N-Acetyl-DL-methioninamide
CID 536763
S-[2-[[(2R)-2-acetamido-3-sulfanyl-propanoyl]amino]ethyl] 2-methylpropanethioate
CID 516555
S-[2-[[(2R)-2-acetamido-3-sulfanyl-propanoyl]amino]ethyl] 2,2-dimethylpropanethioate
CID 516556
S-[2-[[(2R)-2-acetamido-3-acetylsulfanyl-propanoyl]amino]ethyl] 2-methylpropanethioate
CID 516561
3-methyl-4-(2-methylpropyl)-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide
CID 53383075
(2R)-N-methyl-3-methylsulfanyl-2-(propanoylamino)propanamide
CID 145980045
S-[2-[[(2S)-2-aminopropanoyl]amino]ethyl] ethanethioate;hydrobromide
CID 18631475
3-methyl-4-(3-methylbutyl)-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide
CID 53383078
S-[2-[[(2R)-2-acetamido-3-acetylsulfanyl-propanoyl]amino]ethyl] ethanethioate
CID 516558

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-methylthiomorpholine-3-carboxamide?
The IUPAC name of 4-acetyl-N-methylthiomorpholine-3-carboxamide (CID 5254752) is 4-acetyl-N-methylthiomorpholine-3-carboxamide.
What is the SMILES notation for 4-acetyl-N-methylthiomorpholine-3-carboxamide?
The canonical SMILES for 4-acetyl-N-methylthiomorpholine-3-carboxamide is CNC(=O)C1CSCCN1C(C)=O.
What is the InChIKey of 4-acetyl-N-methylthiomorpholine-3-carboxamide?
The InChIKey is ZYRHPLXXKTYNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2S/c1-6(11)10-3-4-13-5-7(10)8(12)9-2/h7H,3-5H2,1-2H3,(H,9,12).
What are the key properties of 4-acetyl-N-methylthiomorpholine-3-carboxamide?
4-acetyl-N-methylthiomorpholine-3-carboxamide has a molecular weight of 202.28 g/mol, XLogP of -0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-methylthiomorpholine-3-carboxamide is sourced from PubChem (CID 5254752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).