2,2-dimethylpropylsulfonylcyclobutane

C9H18O2S — CID 167544021

IUPAC2,2-dimethylpropylsulfonylcyclobutane
SMILESCC(C)(C)CS(=O)(=O)C1CCC1
InChIInChI=1S/C9H18O2S/c1-9(2,3)7-12(10,11)8-5-4-6-8/h8H,4-7H2,1-3H3
InChIKeyKGMZQLXZTHTEIH-UHFFFAOYSA-N
MW190.31 g/mol
LogP2.00
Rot. Bonds2

About 2,2-dimethylpropylsulfonylcyclobutane

2,2-dimethylpropylsulfonylcyclobutane (PubChem CID 167544021) has the molecular formula C9H18O2S and a molecular weight of 190.31 g/mol. Its IUPAC name is 2,2-dimethylpropylsulfonylcyclobutane.

Molecular Properties

Compound Name2,2-dimethylpropylsulfonylcyclobutane
PubChem CID167544021
Molecular FormulaC9H18O2S
Molecular Weight190.31 g/mol
Exact Mass190.10
IUPAC Name2,2-dimethylpropylsulfonylcyclobutane
SMILESCC(C)(C)CS(=O)(=O)C1CCC1
InChIInChI=1S/C9H18O2S/c1-9(2,3)7-12(10,11)8-5-4-6-8/h8H,4-7H2,1-3H3
InChIKeyKGMZQLXZTHTEIH-UHFFFAOYSA-N
XLogP2.00
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.31
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentylsulfonyl-2-methylpropan-2-ol
CID 111435418
methyl 3-cyclohexylsulfonyl-2,2-dimethylpropanoate
CID 79629680
1-(3-methoxycyclohexyl)sulfonyl-2-methylpropan-2-amine
CID 81189150
4-cyclopentylsulfonyl-2-methylbutan-2-amine
CID 117036332
4-(3,3-dimethylbutylsulfonyl)azepane
CID 115070444
2-methyl-1-(oxan-3-ylsulfonyl)propan-2-amine
CID 107138212
2-cyclobutylsulfonyl-2-methylpropan-1-amine
CID 116855236
cyclopentyl 2,2-dimethylpropane-1-sulfonate
CID 174663479
ethylsulfonylcyclopropane
CID 12063392
5,5-dimethylhexan-2-ylsulfonylcyclohexane
CID 158552545
tert-butyl 2-cyclopentylsulfonylacetate
CID 73425315
2,2-dimethyl-3-(1-methylpiperidin-3-yl)sulfonylpropan-1-amine
CID 116853188

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropylsulfonylcyclobutane?
The IUPAC name of 2,2-dimethylpropylsulfonylcyclobutane (CID 167544021) is 2,2-dimethylpropylsulfonylcyclobutane.
What is the SMILES notation for 2,2-dimethylpropylsulfonylcyclobutane?
The canonical SMILES for 2,2-dimethylpropylsulfonylcyclobutane is CC(C)(C)CS(=O)(=O)C1CCC1.
What is the InChIKey of 2,2-dimethylpropylsulfonylcyclobutane?
The InChIKey is KGMZQLXZTHTEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2S/c1-9(2,3)7-12(10,11)8-5-4-6-8/h8H,4-7H2,1-3H3.
What are the key properties of 2,2-dimethylpropylsulfonylcyclobutane?
2,2-dimethylpropylsulfonylcyclobutane has a molecular weight of 190.31 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropylsulfonylcyclobutane is sourced from PubChem (CID 167544021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).