1-cyclopentylsulfonylpropan-1-one

C8H14O3S — CID 141192779

IUPAC1-cyclopentylsulfonylpropan-1-one
SMILESCCC(=O)S(=O)(=O)C1CCCC1
InChIInChI=1S/C8H14O3S/c1-2-8(9)12(10,11)7-5-3-4-6-7/h7H,2-6H2,1H3
InChIKeyPWIXSLVUMLFFRV-UHFFFAOYSA-N
MW190.26 g/mol
LogP1.28
Rot. Bonds2

About 1-cyclopentylsulfonylpropan-1-one

1-cyclopentylsulfonylpropan-1-one (PubChem CID 141192779) has the molecular formula C8H14O3S and a molecular weight of 190.26 g/mol. Its IUPAC name is 1-cyclopentylsulfonylpropan-1-one.

Molecular Properties

Compound Name1-cyclopentylsulfonylpropan-1-one
PubChem CID141192779
Molecular FormulaC8H14O3S
Molecular Weight190.26 g/mol
Exact Mass190.07
IUPAC Name1-cyclopentylsulfonylpropan-1-one
SMILESCCC(=O)S(=O)(=O)C1CCCC1
InChIInChI=1S/C8H14O3S/c1-2-8(9)12(10,11)7-5-3-4-6-7/h7H,2-6H2,1H3
InChIKeyPWIXSLVUMLFFRV-UHFFFAOYSA-N
XLogP1.28
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.26
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

2-Methyl-3-oxothiophane-1-dioxide
CID 193929
2-(Butylsulfonyl)cyclopentanone
CID 289555
S-ethyl 2-methylsulfonylpropanethioate
CID 15834329
1-Cyclopentylsulfonylpropan-2-one
CID 20260710
S-ethyl 3-ethylsulfonylpropanethioate
CID 20544804
S-propan-2-yl 3-propan-2-ylsulfonylpropanethioate
CID 20544817
S-(3-methylsulfonylcyclopentyl) ethanethioate
CID 54020025
S-butan-2-yl 3-butan-2-ylsulfonylpropanethioate
CID 56608876
S-propyl 3-propylsulfonylpropanethioate
CID 56635102
2-Ethylsulfonylcyclopentan-1-one
CID 64643138
2-Ethylsulfonylpentan-3-one
CID 64866107
1-Ethylsulfonylpropan-1-one
CID 88398684

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentylsulfonylpropan-1-one?
The IUPAC name of 1-cyclopentylsulfonylpropan-1-one (CID 141192779) is 1-cyclopentylsulfonylpropan-1-one.
What is the SMILES notation for 1-cyclopentylsulfonylpropan-1-one?
The canonical SMILES for 1-cyclopentylsulfonylpropan-1-one is CCC(=O)S(=O)(=O)C1CCCC1.
What is the InChIKey of 1-cyclopentylsulfonylpropan-1-one?
The InChIKey is PWIXSLVUMLFFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3S/c1-2-8(9)12(10,11)7-5-3-4-6-7/h7H,2-6H2,1H3.
What are the key properties of 1-cyclopentylsulfonylpropan-1-one?
1-cyclopentylsulfonylpropan-1-one has a molecular weight of 190.26 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentylsulfonylpropan-1-one is sourced from PubChem (CID 141192779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).