2-(thiomorpholin-4-ylmethyl)cyclopentan-1-one

C10H17NOS — CID 62613350

IUPAC2-(thiomorpholin-4-ylmethyl)cyclopentan-1-one
SMILESO=C1CCCC1CN1CCSCC1
InChIInChI=1S/C10H17NOS/c12-10-3-1-2-9(10)8-11-4-6-13-7-5-11/h9H,1-8H2
InChIKeyZYWKWTITZLPDKT-UHFFFAOYSA-N
MW199.32 g/mol
LogP1.40
Rot. Bonds2

About 2-(thiomorpholin-4-ylmethyl)cyclopentan-1-one

2-(thiomorpholin-4-ylmethyl)cyclopentan-1-one (PubChem CID 62613350) has the molecular formula C10H17NOS and a molecular weight of 199.32 g/mol. Its IUPAC name is 2-(thiomorpholin-4-ylmethyl)cyclopentan-1-one.

Molecular Properties

Compound Name2-(thiomorpholin-4-ylmethyl)cyclopentan-1-one
PubChem CID62613350
Molecular FormulaC10H17NOS
Molecular Weight199.32 g/mol
Exact Mass199.10
IUPAC Name2-(thiomorpholin-4-ylmethyl)cyclopentan-1-one
SMILESO=C1CCCC1CN1CCSCC1
InChIInChI=1S/C10H17NOS/c12-10-3-1-2-9(10)8-11-4-6-13-7-5-11/h9H,1-8H2
InChIKeyZYWKWTITZLPDKT-UHFFFAOYSA-N
XLogP1.40
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(thiomorpholin-4-ylmethyl)cyclopentan-1-one?
The IUPAC name of 2-(thiomorpholin-4-ylmethyl)cyclopentan-1-one (CID 62613350) is 2-(thiomorpholin-4-ylmethyl)cyclopentan-1-one.
What is the SMILES notation for 2-(thiomorpholin-4-ylmethyl)cyclopentan-1-one?
The canonical SMILES for 2-(thiomorpholin-4-ylmethyl)cyclopentan-1-one is O=C1CCCC1CN1CCSCC1.
What is the InChIKey of 2-(thiomorpholin-4-ylmethyl)cyclopentan-1-one?
The InChIKey is ZYWKWTITZLPDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NOS/c12-10-3-1-2-9(10)8-11-4-6-13-7-5-11/h9H,1-8H2.
What are the key properties of 2-(thiomorpholin-4-ylmethyl)cyclopentan-1-one?
2-(thiomorpholin-4-ylmethyl)cyclopentan-1-one has a molecular weight of 199.32 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiomorpholin-4-ylmethyl)cyclopentan-1-one is sourced from PubChem (CID 62613350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).