1-cyclopentylsulfonyl-2-methylpropan-2-ol

C9H18O3S — CID 111435418

IUPAC1-cyclopentylsulfonyl-2-methylpropan-2-ol
SMILESCC(C)(O)CS(=O)(=O)C1CCCC1
InChIInChI=1S/C9H18O3S/c1-9(2,10)7-13(11,12)8-5-3-4-6-8/h8,10H,3-7H2,1-2H3
InChIKeyBSZSCKNMYJHPBM-UHFFFAOYSA-N
MW206.31 g/mol
LogP1.11
Rot. Bonds3

About 1-cyclopentylsulfonyl-2-methylpropan-2-ol

1-cyclopentylsulfonyl-2-methylpropan-2-ol (PubChem CID 111435418) has the molecular formula C9H18O3S and a molecular weight of 206.31 g/mol. Its IUPAC name is 1-cyclopentylsulfonyl-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-cyclopentylsulfonyl-2-methylpropan-2-ol
PubChem CID111435418
Molecular FormulaC9H18O3S
Molecular Weight206.31 g/mol
Exact Mass206.10
IUPAC Name1-cyclopentylsulfonyl-2-methylpropan-2-ol
SMILESCC(C)(O)CS(=O)(=O)C1CCCC1
InChIInChI=1S/C9H18O3S/c1-9(2,10)7-13(11,12)8-5-3-4-6-8/h8,10H,3-7H2,1-2H3
InChIKeyBSZSCKNMYJHPBM-UHFFFAOYSA-N
XLogP1.11
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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methyl 3-cyclohexylsulfonyl-2,2-dimethylpropanoate
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4-cyclopentylsulfonyl-2-methylbutan-2-amine
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(2S)-N-(4-chlorophenyl)-3-cyclohexylsulfonyl-2-hydroxy-2-methylpropanamide
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3-cyclopentylsulfonyl-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propan-1-one
CID 56803132
2-cyclohexylsulfonyl-2-methylpropan-1-ol
CID 116855289
tert-butyl 3-cyclohexylsulfonylpropanoate
CID 116662463
(2S)-3-cyclohexylsulfonyl-2-hydroxy-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide
CID 1479217
N-(1-amino-2,3-dimethylbutan-2-yl)-2-cyclopentylsulfonylacetamide;hydrochloride
CID 119606077
2-[(2-cyclopentylsulfonylacetyl)-methylamino]-2-methylpropanoic acid
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CID 18457605

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentylsulfonyl-2-methylpropan-2-ol?
The IUPAC name of 1-cyclopentylsulfonyl-2-methylpropan-2-ol (CID 111435418) is 1-cyclopentylsulfonyl-2-methylpropan-2-ol.
What is the SMILES notation for 1-cyclopentylsulfonyl-2-methylpropan-2-ol?
The canonical SMILES for 1-cyclopentylsulfonyl-2-methylpropan-2-ol is CC(C)(O)CS(=O)(=O)C1CCCC1.
What is the InChIKey of 1-cyclopentylsulfonyl-2-methylpropan-2-ol?
The InChIKey is BSZSCKNMYJHPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3S/c1-9(2,10)7-13(11,12)8-5-3-4-6-8/h8,10H,3-7H2,1-2H3.
What are the key properties of 1-cyclopentylsulfonyl-2-methylpropan-2-ol?
1-cyclopentylsulfonyl-2-methylpropan-2-ol has a molecular weight of 206.31 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentylsulfonyl-2-methylpropan-2-ol is sourced from PubChem (CID 111435418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).