(2S)-2-cyclopentyl-2-ethylsulfonylacetaldehyde

C9H16O3S — CID 99989872

IUPAC(2S)-2-cyclopentyl-2-ethylsulfonylacetaldehyde
SMILESCCS(=O)(=O)[C@H](C=O)C1CCCC1
InChIInChI=1S/C9H16O3S/c1-2-13(11,12)9(7-10)8-5-3-4-6-8/h7-9H,2-6H2,1H3/t9-/m1/s1
InChIKeyRLKUUWFYQSDWLA-SECBINFHSA-N
MW204.29 g/mol
LogP1.18
Rot. Bonds4

About (2S)-2-cyclopentyl-2-ethylsulfonylacetaldehyde

(2S)-2-cyclopentyl-2-ethylsulfonylacetaldehyde (PubChem CID 99989872) has the molecular formula C9H16O3S and a molecular weight of 204.29 g/mol. Its IUPAC name is (2S)-2-cyclopentyl-2-ethylsulfonylacetaldehyde.

Molecular Properties

Compound Name(2S)-2-cyclopentyl-2-ethylsulfonylacetaldehyde
PubChem CID99989872
Molecular FormulaC9H16O3S
Molecular Weight204.29 g/mol
Exact Mass204.08
IUPAC Name(2S)-2-cyclopentyl-2-ethylsulfonylacetaldehyde
SMILESCCS(=O)(=O)[C@H](C=O)C1CCCC1
InChIInChI=1S/C9H16O3S/c1-2-13(11,12)9(7-10)8-5-3-4-6-8/h7-9H,2-6H2,1H3/t9-/m1/s1
InChIKeyRLKUUWFYQSDWLA-SECBINFHSA-N
XLogP1.18
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopentyl-2-methylsulfonylacetaldehyde
CID 102568308
cyclohexyl(ethylsulfonyl)methanamine
CID 54085731
(2S)-2-cyclohexylbutanal
CID 88959248
(2S)-2-cyclohexyl-2-ethylsulfonylethanamine
CID 99991186
(2S)-2-cyclohexyl-2-ethylsulfonylethanol
CID 99991170
1-cyclopentyl-2-propan-2-ylsulfonylethanamine
CID 104754148
ethyl (2R)-2-cyclohexyl-2-ethylsulfonylacetate
CID 99991155
N-(2-amino-1-cyclopentylethyl)ethanesulfonamide
CID 106737875
propane;propan-2-ylcyclopentane
CID 91615250
2-cyclohexyl-4-oxohexanal
CID 54168363
N-(1-cyclopentylethyl)-2-(propylamino)ethanesulfonamide
CID 106066112
1-cyclopentylbutane-1-sulfonamide
CID 165443509

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclopentyl-2-ethylsulfonylacetaldehyde?
The IUPAC name of (2S)-2-cyclopentyl-2-ethylsulfonylacetaldehyde (CID 99989872) is (2S)-2-cyclopentyl-2-ethylsulfonylacetaldehyde.
What is the SMILES notation for (2S)-2-cyclopentyl-2-ethylsulfonylacetaldehyde?
The canonical SMILES for (2S)-2-cyclopentyl-2-ethylsulfonylacetaldehyde is CCS(=O)(=O)[C@H](C=O)C1CCCC1.
What is the InChIKey of (2S)-2-cyclopentyl-2-ethylsulfonylacetaldehyde?
The InChIKey is RLKUUWFYQSDWLA-SECBINFHSA-N. The full InChI is InChI=1S/C9H16O3S/c1-2-13(11,12)9(7-10)8-5-3-4-6-8/h7-9H,2-6H2,1H3/t9-/m1/s1.
What are the key properties of (2S)-2-cyclopentyl-2-ethylsulfonylacetaldehyde?
(2S)-2-cyclopentyl-2-ethylsulfonylacetaldehyde has a molecular weight of 204.29 g/mol, XLogP of 1.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclopentyl-2-ethylsulfonylacetaldehyde is sourced from PubChem (CID 99989872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).