propan-2-yl cyclopentanesulfonate

C8H16O3S — CID 22436828

IUPACpropan-2-yl cyclopentanesulfonate
SMILESCC(C)OS(=O)(=O)C1CCCC1
InChIInChI=1S/C8H16O3S/c1-7(2)11-12(9,10)8-5-3-4-6-8/h7-8H,3-6H2,1-2H3
InChIKeyVQGMIZZCGHNNLN-UHFFFAOYSA-N
MW192.28 g/mol
LogP1.68
Rot. Bonds3

About propan-2-yl cyclopentanesulfonate

propan-2-yl cyclopentanesulfonate (PubChem CID 22436828) has the molecular formula C8H16O3S and a molecular weight of 192.28 g/mol. Its IUPAC name is propan-2-yl cyclopentanesulfonate.

Molecular Properties

Compound Namepropan-2-yl cyclopentanesulfonate
PubChem CID22436828
Molecular FormulaC8H16O3S
Molecular Weight192.28 g/mol
Exact Mass192.08
IUPAC Namepropan-2-yl cyclopentanesulfonate
SMILESCC(C)OS(=O)(=O)C1CCCC1
InChIInChI=1S/C8H16O3S/c1-7(2)11-12(9,10)8-5-3-4-6-8/h7-8H,3-6H2,1-2H3
InChIKeyVQGMIZZCGHNNLN-UHFFFAOYSA-N
XLogP1.68
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

butan-2-yl cyclohexanesulfonate
CID 22436780
cyclopentylsulfonyl ethaneperoxoate
CID 20509285
propan-2-yl N-cyclohexylsulfamate
CID 56638183
tert-butyl cyclopentanesulfonate
CID 22436826
CID 162116697
CID 162116697
[(1S)-1-cyclohexylethyl] hydrogen sulfate
CID 101191225
1-amino-1-cyclohexylpropane-2-sulfonamide
CID 174660320
4-cyclopentylsulfonylbutan-2-amine
CID 64674097
2-cyclopentylsulfonyl-N-methylpropan-1-amine
CID 106512846
dipropan-2-yl sulfate
CID 18096
azanium propan-2-yl sulfate
CID 87164881
3-cyclohexylsulfonylbutan-1-amine
CID 64698665

Frequently Asked Questions

What is the IUPAC name of propan-2-yl cyclopentanesulfonate?
The IUPAC name of propan-2-yl cyclopentanesulfonate (CID 22436828) is propan-2-yl cyclopentanesulfonate.
What is the SMILES notation for propan-2-yl cyclopentanesulfonate?
The canonical SMILES for propan-2-yl cyclopentanesulfonate is CC(C)OS(=O)(=O)C1CCCC1.
What is the InChIKey of propan-2-yl cyclopentanesulfonate?
The InChIKey is VQGMIZZCGHNNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3S/c1-7(2)11-12(9,10)8-5-3-4-6-8/h7-8H,3-6H2,1-2H3.
What are the key properties of propan-2-yl cyclopentanesulfonate?
propan-2-yl cyclopentanesulfonate has a molecular weight of 192.28 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl cyclopentanesulfonate is sourced from PubChem (CID 22436828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).