2-methyl-3-(methylamino)-1-thiomorpholin-4-ylpropan-1-one

C9H18N2OS — CID 79196742

IUPAC2-methyl-3-(methylamino)-1-thiomorpholin-4-ylpropan-1-one
SMILESCNCC(C)C(=O)N1CCSCC1
InChIInChI=1S/C9H18N2OS/c1-8(7-10-2)9(12)11-3-5-13-6-4-11/h8,10H,3-7H2,1-2H3
InChIKeyLGUNSCDCGGNONN-UHFFFAOYSA-N
MW202.32 g/mol
LogP0.42
Rot. Bonds3

About 2-methyl-3-(methylamino)-1-thiomorpholin-4-ylpropan-1-one

2-methyl-3-(methylamino)-1-thiomorpholin-4-ylpropan-1-one (PubChem CID 79196742) has the molecular formula C9H18N2OS and a molecular weight of 202.32 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-1-thiomorpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-1-thiomorpholin-4-ylpropan-1-one
PubChem CID79196742
Molecular FormulaC9H18N2OS
Molecular Weight202.32 g/mol
Exact Mass202.11
IUPAC Name2-methyl-3-(methylamino)-1-thiomorpholin-4-ylpropan-1-one
SMILESCNCC(C)C(=O)N1CCSCC1
InChIInChI=1S/C9H18N2OS/c1-8(7-10-2)9(12)11-3-5-13-6-4-11/h8,10H,3-7H2,1-2H3
InChIKeyLGUNSCDCGGNONN-UHFFFAOYSA-N
XLogP0.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-1-thiomorpholin-4-ylpropan-1-one?
The IUPAC name of 2-methyl-3-(methylamino)-1-thiomorpholin-4-ylpropan-1-one (CID 79196742) is 2-methyl-3-(methylamino)-1-thiomorpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-methyl-3-(methylamino)-1-thiomorpholin-4-ylpropan-1-one?
The canonical SMILES for 2-methyl-3-(methylamino)-1-thiomorpholin-4-ylpropan-1-one is CNCC(C)C(=O)N1CCSCC1.
What is the InChIKey of 2-methyl-3-(methylamino)-1-thiomorpholin-4-ylpropan-1-one?
The InChIKey is LGUNSCDCGGNONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2OS/c1-8(7-10-2)9(12)11-3-5-13-6-4-11/h8,10H,3-7H2,1-2H3.
What are the key properties of 2-methyl-3-(methylamino)-1-thiomorpholin-4-ylpropan-1-one?
2-methyl-3-(methylamino)-1-thiomorpholin-4-ylpropan-1-one has a molecular weight of 202.32 g/mol, XLogP of 0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-1-thiomorpholin-4-ylpropan-1-one is sourced from PubChem (CID 79196742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).