ethane;N-methyl-2-(3-oxothiomorpholin-2-yl)acetamide

C9H18N2O2S — CID 145396418

IUPACethane;N-methyl-2-(3-oxothiomorpholin-2-yl)acetamide
SMILESCC.CNC(=O)CC1SCCNC1=O
InChIInChI=1S/C7H12N2O2S.C2H6/c1-8-6(10)4-5-7(11)9-2-3-12-5;1-2/h5H,2-4H2,1H3,(H,8,10)(H,9,11);1-2H3
InChIKeyKQUSLUHYUWIKRT-UHFFFAOYSA-N
MW218.32 g/mol
LogP0.38
Rot. Bonds2

About ethane;N-methyl-2-(3-oxothiomorpholin-2-yl)acetamide

ethane;N-methyl-2-(3-oxothiomorpholin-2-yl)acetamide (PubChem CID 145396418) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is ethane;N-methyl-2-(3-oxothiomorpholin-2-yl)acetamide.

Molecular Properties

Compound Nameethane;N-methyl-2-(3-oxothiomorpholin-2-yl)acetamide
PubChem CID145396418
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC Nameethane;N-methyl-2-(3-oxothiomorpholin-2-yl)acetamide
SMILESCC.CNC(=O)CC1SCCNC1=O
InChIInChI=1S/C7H12N2O2S.C2H6/c1-8-6(10)4-5-7(11)9-2-3-12-5;1-2/h5H,2-4H2,1H3,(H,8,10)(H,9,11);1-2H3
InChIKeyKQUSLUHYUWIKRT-UHFFFAOYSA-N
XLogP0.38
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-2-(3-oxothiomorpholin-2-yl)acetamide?
The IUPAC name of ethane;N-methyl-2-(3-oxothiomorpholin-2-yl)acetamide (CID 145396418) is ethane;N-methyl-2-(3-oxothiomorpholin-2-yl)acetamide.
What is the SMILES notation for ethane;N-methyl-2-(3-oxothiomorpholin-2-yl)acetamide?
The canonical SMILES for ethane;N-methyl-2-(3-oxothiomorpholin-2-yl)acetamide is CC.CNC(=O)CC1SCCNC1=O.
What is the InChIKey of ethane;N-methyl-2-(3-oxothiomorpholin-2-yl)acetamide?
The InChIKey is KQUSLUHYUWIKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2S.C2H6/c1-8-6(10)4-5-7(11)9-2-3-12-5;1-2/h5H,2-4H2,1H3,(H,8,10)(H,9,11);1-2H3.
What are the key properties of ethane;N-methyl-2-(3-oxothiomorpholin-2-yl)acetamide?
ethane;N-methyl-2-(3-oxothiomorpholin-2-yl)acetamide has a molecular weight of 218.32 g/mol, XLogP of 0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-2-(3-oxothiomorpholin-2-yl)acetamide is sourced from PubChem (CID 145396418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).