4-methyl-1-thiomorpholin-4-ylpentan-1-one

C10H19NOS — CID 58449972

IUPAC4-methyl-1-thiomorpholin-4-ylpentan-1-one
SMILESCC(C)CCC(=O)N1CCSCC1
InChIInChI=1S/C10H19NOS/c1-9(2)3-4-10(12)11-5-7-13-8-6-11/h9H,3-8H2,1-2H3
InChIKeyGPJWTUWMVIUWJK-UHFFFAOYSA-N
MW201.33 g/mol
LogP2.00
Rot. Bonds3

About 4-methyl-1-thiomorpholin-4-ylpentan-1-one

4-methyl-1-thiomorpholin-4-ylpentan-1-one (PubChem CID 58449972) has the molecular formula C10H19NOS and a molecular weight of 201.33 g/mol. Its IUPAC name is 4-methyl-1-thiomorpholin-4-ylpentan-1-one.

Molecular Properties

Compound Name4-methyl-1-thiomorpholin-4-ylpentan-1-one
PubChem CID58449972
Molecular FormulaC10H19NOS
Molecular Weight201.33 g/mol
Exact Mass201.12
IUPAC Name4-methyl-1-thiomorpholin-4-ylpentan-1-one
SMILESCC(C)CCC(=O)N1CCSCC1
InChIInChI=1S/C10H19NOS/c1-9(2)3-4-10(12)11-5-7-13-8-6-11/h9H,3-8H2,1-2H3
InChIKeyGPJWTUWMVIUWJK-UHFFFAOYSA-N
XLogP2.00
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-thiomorpholin-4-ylpentan-1-one?
The IUPAC name of 4-methyl-1-thiomorpholin-4-ylpentan-1-one (CID 58449972) is 4-methyl-1-thiomorpholin-4-ylpentan-1-one.
What is the SMILES notation for 4-methyl-1-thiomorpholin-4-ylpentan-1-one?
The canonical SMILES for 4-methyl-1-thiomorpholin-4-ylpentan-1-one is CC(C)CCC(=O)N1CCSCC1.
What is the InChIKey of 4-methyl-1-thiomorpholin-4-ylpentan-1-one?
The InChIKey is GPJWTUWMVIUWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NOS/c1-9(2)3-4-10(12)11-5-7-13-8-6-11/h9H,3-8H2,1-2H3.
What are the key properties of 4-methyl-1-thiomorpholin-4-ylpentan-1-one?
4-methyl-1-thiomorpholin-4-ylpentan-1-one has a molecular weight of 201.33 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-thiomorpholin-4-ylpentan-1-one is sourced from PubChem (CID 58449972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).