4-(2-propylsulfonylethyl)thiolan-3-one

C9H16O3S2 — CID 106727081

IUPAC4-(2-propylsulfonylethyl)thiolan-3-one
SMILESCCCS(=O)(=O)CCC1CSCC1=O
InChIInChI=1S/C9H16O3S2/c1-2-4-14(11,12)5-3-8-6-13-7-9(8)10/h8H,2-7H2,1H3
InChIKeyMKZNUUFPCUDODJ-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.13
Rot. Bonds5

About 4-(2-propylsulfonylethyl)thiolan-3-one

4-(2-propylsulfonylethyl)thiolan-3-one (PubChem CID 106727081) has the molecular formula C9H16O3S2 and a molecular weight of 236.36 g/mol. Its IUPAC name is 4-(2-propylsulfonylethyl)thiolan-3-one.

Molecular Properties

Compound Name4-(2-propylsulfonylethyl)thiolan-3-one
PubChem CID106727081
Molecular FormulaC9H16O3S2
Molecular Weight236.36 g/mol
Exact Mass236.05
IUPAC Name4-(2-propylsulfonylethyl)thiolan-3-one
SMILESCCCS(=O)(=O)CCC1CSCC1=O
InChIInChI=1S/C9H16O3S2/c1-2-4-14(11,12)5-3-8-6-13-7-9(8)10/h8H,2-7H2,1H3
InChIKeyMKZNUUFPCUDODJ-UHFFFAOYSA-N
XLogP1.13
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-propylsulfonylethyl)cyclopentan-1-one
CID 79575849
4-(2-fluoroethyl)thiolan-3-one
CID 83191762
3-(2-propylsulfonylethyl)oxan-4-one
CID 106727100
4-pent-3-ynylthiolan-3-one
CID 104808683
4-(2-propan-2-yloxyethyl)thiolan-3-one
CID 83195737
1-propylsulfonylpropane
CID 11709
4-(5-hydroxypentyl)thiolan-3-one
CID 83196587
2-(2-butylsulfonylethyl)cyclopentan-1-one
CID 79576845
4-[(3-bromo-5-fluorophenyl)methyl]thiolan-3-one
CID 83196057
4-(3-methylbut-2-enyl)thiolan-3-one
CID 83196380
2-(2-propylsulfonylethyl)cyclobutan-1-amine
CID 106735337
2-cyclopropyl-N-(2-propylsulfonylethyl)ethanamine
CID 106723908

Frequently Asked Questions

What is the IUPAC name of 4-(2-propylsulfonylethyl)thiolan-3-one?
The IUPAC name of 4-(2-propylsulfonylethyl)thiolan-3-one (CID 106727081) is 4-(2-propylsulfonylethyl)thiolan-3-one.
What is the SMILES notation for 4-(2-propylsulfonylethyl)thiolan-3-one?
The canonical SMILES for 4-(2-propylsulfonylethyl)thiolan-3-one is CCCS(=O)(=O)CCC1CSCC1=O.
What is the InChIKey of 4-(2-propylsulfonylethyl)thiolan-3-one?
The InChIKey is MKZNUUFPCUDODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3S2/c1-2-4-14(11,12)5-3-8-6-13-7-9(8)10/h8H,2-7H2,1H3.
What are the key properties of 4-(2-propylsulfonylethyl)thiolan-3-one?
4-(2-propylsulfonylethyl)thiolan-3-one has a molecular weight of 236.36 g/mol, XLogP of 1.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-propylsulfonylethyl)thiolan-3-one is sourced from PubChem (CID 106727081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).