3-propylsulfinylcyclopentan-1-one

C8H14O2S — CID 64722691

IUPAC3-propylsulfinylcyclopentan-1-one
SMILESCCCS(=O)C1CCC(=O)C1
InChIInChI=1S/C8H14O2S/c1-2-5-11(10)8-4-3-7(9)6-8/h8H,2-6H2,1H3
InChIKeyFTBRCQKDKSMUJB-UHFFFAOYSA-N
MW174.26 g/mol
LogP1.27
Rot. Bonds3

About 3-propylsulfinylcyclopentan-1-one

3-propylsulfinylcyclopentan-1-one (PubChem CID 64722691) has the molecular formula C8H14O2S and a molecular weight of 174.26 g/mol. Its IUPAC name is 3-propylsulfinylcyclopentan-1-one.

Molecular Properties

Compound Name3-propylsulfinylcyclopentan-1-one
PubChem CID64722691
Molecular FormulaC8H14O2S
Molecular Weight174.26 g/mol
Exact Mass174.07
IUPAC Name3-propylsulfinylcyclopentan-1-one
SMILESCCCS(=O)C1CCC(=O)C1
InChIInChI=1S/C8H14O2S/c1-2-5-11(10)8-4-3-7(9)6-8/h8H,2-6H2,1H3
InChIKeyFTBRCQKDKSMUJB-UHFFFAOYSA-N
XLogP1.27
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-propylsulfinylcyclohexan-1-one
CID 64725064
3-(3-methoxypropylsulfinyl)cyclopentan-1-one
CID 64724920
3-[(2-methylphenyl)methylsulfinyl]cyclopentan-1-one
CID 64724919
3-methylsulfinylcyclohexan-1-one
CID 64722829
bis(3-ethylcyclopentan-1-one);methane
CID 159745334
3-pentylcyclopentan-1-one
CID 11040911
N-propyl-3-propylsulfinylcyclopentan-1-amine
CID 64722656
3-(oxolan-2-ylmethylsulfinyl)cyclohexan-1-one
CID 106497199
3-[ethyl(propyl)amino]cyclopentan-1-one
CID 79642682
3-ethoxycyclopentan-1-one
CID 15050470
methyl (3-oxocyclopentyl)methanesulfinate
CID 14037510
3-(dibutylamino)cyclopentan-1-one
CID 79644207

Frequently Asked Questions

What is the IUPAC name of 3-propylsulfinylcyclopentan-1-one?
The IUPAC name of 3-propylsulfinylcyclopentan-1-one (CID 64722691) is 3-propylsulfinylcyclopentan-1-one.
What is the SMILES notation for 3-propylsulfinylcyclopentan-1-one?
The canonical SMILES for 3-propylsulfinylcyclopentan-1-one is CCCS(=O)C1CCC(=O)C1.
What is the InChIKey of 3-propylsulfinylcyclopentan-1-one?
The InChIKey is FTBRCQKDKSMUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2S/c1-2-5-11(10)8-4-3-7(9)6-8/h8H,2-6H2,1H3.
What are the key properties of 3-propylsulfinylcyclopentan-1-one?
3-propylsulfinylcyclopentan-1-one has a molecular weight of 174.26 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propylsulfinylcyclopentan-1-one is sourced from PubChem (CID 64722691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).