cyclopentyl 2,2-dimethylpropane-1-sulfonate

C10H20O3S — CID 174663479

IUPACcyclopentyl 2,2-dimethylpropane-1-sulfonate
SMILESCC(C)(C)CS(=O)(=O)OC1CCCC1
InChIInChI=1S/C10H20O3S/c1-10(2,3)8-14(11,12)13-9-6-4-5-7-9/h9H,4-8H2,1-3H3
InChIKeyBARWUPIYGYOSRQ-UHFFFAOYSA-N
MW220.33 g/mol
LogP2.32
Rot. Bonds3

About cyclopentyl 2,2-dimethylpropane-1-sulfonate

cyclopentyl 2,2-dimethylpropane-1-sulfonate (PubChem CID 174663479) has the molecular formula C10H20O3S and a molecular weight of 220.33 g/mol. Its IUPAC name is cyclopentyl 2,2-dimethylpropane-1-sulfonate.

Molecular Properties

Compound Namecyclopentyl 2,2-dimethylpropane-1-sulfonate
PubChem CID174663479
Molecular FormulaC10H20O3S
Molecular Weight220.33 g/mol
Exact Mass220.11
IUPAC Namecyclopentyl 2,2-dimethylpropane-1-sulfonate
SMILESCC(C)(C)CS(=O)(=O)OC1CCCC1
InChIInChI=1S/C10H20O3S/c1-10(2,3)8-14(11,12)13-9-6-4-5-7-9/h9H,4-8H2,1-3H3
InChIKeyBARWUPIYGYOSRQ-UHFFFAOYSA-N
XLogP2.32
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.33
LogP ≤ 52.32
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

dicyclobutyl methanedisulfonate
CID 89440421
(3S)-3-(2,2-dimethylpropylsulfonyloxy)pyrrolidine-1-carboxylic acid
CID 87292695
(3R)-3-(2,2-dimethylpropylsulfonyloxy)pyrrolidine-1-carboxylic acid
CID 87292136
cyclohexyl 2-[di(propan-2-yl)amino]ethanesulfonate
CID 140941085
cyclohexyl propoxymethanesulfonate
CID 155066558
bis(cyclohexyloxysulfonylmethyl) pentane-1,5-disulfonate
CID 122600071
N-cyclopentyloxy-2-methylpropane-2-sulfonamide
CID 83229785
2,2-dimethylpropylsulfonylcyclobutane
CID 167544021
dicyclobutyl sulfate
CID 87280468
N-cyclohexyl-2,2-dimethylpropane-1-sulfonamide
CID 64591382
azanium cyclohexyl sulfate
CID 141164557
cyclohexyloxysulfonyl(methylsulfonyl)azanide
CID 140797860

Frequently Asked Questions

What is the IUPAC name of cyclopentyl 2,2-dimethylpropane-1-sulfonate?
The IUPAC name of cyclopentyl 2,2-dimethylpropane-1-sulfonate (CID 174663479) is cyclopentyl 2,2-dimethylpropane-1-sulfonate.
What is the SMILES notation for cyclopentyl 2,2-dimethylpropane-1-sulfonate?
The canonical SMILES for cyclopentyl 2,2-dimethylpropane-1-sulfonate is CC(C)(C)CS(=O)(=O)OC1CCCC1.
What is the InChIKey of cyclopentyl 2,2-dimethylpropane-1-sulfonate?
The InChIKey is BARWUPIYGYOSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3S/c1-10(2,3)8-14(11,12)13-9-6-4-5-7-9/h9H,4-8H2,1-3H3.
What are the key properties of cyclopentyl 2,2-dimethylpropane-1-sulfonate?
cyclopentyl 2,2-dimethylpropane-1-sulfonate has a molecular weight of 220.33 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 2,2-dimethylpropane-1-sulfonate is sourced from PubChem (CID 174663479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).