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

C10H17NO3S2 — CID 79644116

IUPAC3-(3-methylsulfonylthiomorpholin-4-yl)cyclopentan-1-one
SMILESCS(=O)(=O)C1CSCCN1C1CCC(=O)C1
InChIInChI=1S/C10H17NO3S2/c1-16(13,14)10-7-15-5-4-11(10)8-2-3-9(12)6-8/h8,10H,2-7H2,1H3
InChIKeyVVLPKSJQHSOUDQ-UHFFFAOYSA-N
MW263.38 g/mol
LogP0.53
Rot. Bonds2

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

3-(3-methylsulfonylthiomorpholin-4-yl)cyclopentan-1-one (PubChem CID 79644116) has the molecular formula C10H17NO3S2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-(3-methylsulfonylthiomorpholin-4-yl)cyclopentan-1-one.

Molecular Properties

Compound Name3-(3-methylsulfonylthiomorpholin-4-yl)cyclopentan-1-one
PubChem CID79644116
Molecular FormulaC10H17NO3S2
Molecular Weight263.38 g/mol
Exact Mass263.06
IUPAC Name3-(3-methylsulfonylthiomorpholin-4-yl)cyclopentan-1-one
SMILESCS(=O)(=O)C1CSCCN1C1CCC(=O)C1
InChIInChI=1S/C10H17NO3S2/c1-16(13,14)10-7-15-5-4-11(10)8-2-3-9(12)6-8/h8,10H,2-7H2,1H3
InChIKeyVVLPKSJQHSOUDQ-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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Related Compounds

2-(3-methylsulfonylthiomorpholin-4-yl)cyclopentan-1-one
CID 66382025
2-(3-methylsulfonylthiomorpholin-4-yl)cyclohexane-1-carbonitrile
CID 66381997
trans-(1R,2R)-2-(3-methylsulfonylthiomorpholin-4-yl)cyclopentan-1-ol
CID 102734831
[2-(3-methylsulfonylthiomorpholin-4-yl)cyclobutyl]methanamine
CID 81004713
4-methyl-3-(3-methylthiomorpholin-4-yl)cyclohexan-1-one
CID 165492165
N-[[2-(3-methylsulfonylthiomorpholin-4-yl)cyclobutyl]methyl]ethanamine
CID 81004886
3-methylsulfonylthiomorpholine-4-carbaldehyde
CID 66381931
2-methyl-N-[[2-(3-methylsulfonylthiomorpholin-4-yl)cyclobutyl]methyl]propan-1-amine
CID 81004535
2-(3-ethylsulfonylthiomorpholin-4-yl)cyclohexan-1-ol
CID 66375579
N'-cyclopentyl-3-methylsulfonylthiomorpholine-4-carboximidamide
CID 66384795
4-[2-(2-chloroethoxy)ethyl]-3-methylsulfonylthiomorpholine
CID 66382227
3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)cyclopentan-1-one
CID 79644213

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylsulfonylthiomorpholin-4-yl)cyclopentan-1-one?
The IUPAC name of 3-(3-methylsulfonylthiomorpholin-4-yl)cyclopentan-1-one (CID 79644116) is 3-(3-methylsulfonylthiomorpholin-4-yl)cyclopentan-1-one.
What is the SMILES notation for 3-(3-methylsulfonylthiomorpholin-4-yl)cyclopentan-1-one?
The canonical SMILES for 3-(3-methylsulfonylthiomorpholin-4-yl)cyclopentan-1-one is CS(=O)(=O)C1CSCCN1C1CCC(=O)C1.
What is the InChIKey of 3-(3-methylsulfonylthiomorpholin-4-yl)cyclopentan-1-one?
The InChIKey is VVLPKSJQHSOUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3S2/c1-16(13,14)10-7-15-5-4-11(10)8-2-3-9(12)6-8/h8,10H,2-7H2,1H3.
What are the key properties of 3-(3-methylsulfonylthiomorpholin-4-yl)cyclopentan-1-one?
3-(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 3-(3-methylsulfonylthiomorpholin-4-yl)cyclopentan-1-one is sourced from PubChem (CID 79644116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).