2-(3-methylsulfonylthiomorpholin-4-yl)cyclopentan-1-one

C10H17NO3S2 — CID 66382025

IUPAC2-(3-methylsulfonylthiomorpholin-4-yl)cyclopentan-1-one
SMILESCS(=O)(=O)C1CSCCN1C1CCCC1=O
InChIInChI=1S/C10H17NO3S2/c1-16(13,14)10-7-15-6-5-11(10)8-3-2-4-9(8)12/h8,10H,2-7H2,1H3
InChIKeyQWYCWZOTRUFOCD-UHFFFAOYSA-N
MW263.38 g/mol
LogP0.53
Rot. Bonds2

About 2-(3-methylsulfonylthiomorpholin-4-yl)cyclopentan-1-one

2-(3-methylsulfonylthiomorpholin-4-yl)cyclopentan-1-one (PubChem CID 66382025) has the molecular formula C10H17NO3S2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(3-methylsulfonylthiomorpholin-4-yl)cyclopentan-1-one.

Molecular Properties

Compound Name2-(3-methylsulfonylthiomorpholin-4-yl)cyclopentan-1-one
PubChem CID66382025
Molecular FormulaC10H17NO3S2
Molecular Weight263.38 g/mol
Exact Mass263.06
IUPAC Name2-(3-methylsulfonylthiomorpholin-4-yl)cyclopentan-1-one
SMILESCS(=O)(=O)C1CSCCN1C1CCCC1=O
InChIInChI=1S/C10H17NO3S2/c1-16(13,14)10-7-15-6-5-11(10)8-3-2-4-9(8)12/h8,10H,2-7H2,1H3
InChIKeyQWYCWZOTRUFOCD-UHFFFAOYSA-N
XLogP0.53
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylsulfonylthiomorpholin-4-yl)cyclopentan-1-one?
The IUPAC name of 2-(3-methylsulfonylthiomorpholin-4-yl)cyclopentan-1-one (CID 66382025) is 2-(3-methylsulfonylthiomorpholin-4-yl)cyclopentan-1-one.
What is the SMILES notation for 2-(3-methylsulfonylthiomorpholin-4-yl)cyclopentan-1-one?
The canonical SMILES for 2-(3-methylsulfonylthiomorpholin-4-yl)cyclopentan-1-one is CS(=O)(=O)C1CSCCN1C1CCCC1=O.
What is the InChIKey of 2-(3-methylsulfonylthiomorpholin-4-yl)cyclopentan-1-one?
The InChIKey is QWYCWZOTRUFOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3S2/c1-16(13,14)10-7-15-6-5-11(10)8-3-2-4-9(8)12/h8,10H,2-7H2,1H3.
What are the key properties of 2-(3-methylsulfonylthiomorpholin-4-yl)cyclopentan-1-one?
2-(3-methylsulfonylthiomorpholin-4-yl)cyclopentan-1-one has a molecular weight of 263.38 g/mol, XLogP of 0.53, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylsulfonylthiomorpholin-4-yl)cyclopentan-1-one is sourced from PubChem (CID 66382025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).