(1S)-2-tert-butylsulfonyl-1-cyclopentylethanol

C11H22O3S — CID 164968178

IUPAC(1S)-2-tert-butylsulfonyl-1-cyclopentylethanol
SMILESCC(C)(C)S(=O)(=O)C[C@@H](O)C1CCCC1
InChIInChI=1S/C11H22O3S/c1-11(2,3)15(13,14)8-10(12)9-6-4-5-7-9/h9-10,12H,4-8H2,1-3H3/t10-/m1/s1
InChIKeyJGGWWDKGLODJDF-SNVBAGLBSA-N
MW234.36 g/mol
LogP1.75
Rot. Bonds3

About (1S)-2-tert-butylsulfonyl-1-cyclopentylethanol

(1S)-2-tert-butylsulfonyl-1-cyclopentylethanol (PubChem CID 164968178) has the molecular formula C11H22O3S and a molecular weight of 234.36 g/mol. Its IUPAC name is (1S)-2-tert-butylsulfonyl-1-cyclopentylethanol.

Molecular Properties

Compound Name(1S)-2-tert-butylsulfonyl-1-cyclopentylethanol
PubChem CID164968178
Molecular FormulaC11H22O3S
Molecular Weight234.36 g/mol
Exact Mass234.13
IUPAC Name(1S)-2-tert-butylsulfonyl-1-cyclopentylethanol
SMILESCC(C)(C)S(=O)(=O)C[C@@H](O)C1CCCC1
InChIInChI=1S/C11H22O3S/c1-11(2,3)15(13,14)8-10(12)9-6-4-5-7-9/h9-10,12H,4-8H2,1-3H3/t10-/m1/s1
InChIKeyJGGWWDKGLODJDF-SNVBAGLBSA-N
XLogP1.75
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1,1-Dioxothiolan-3-yl)-3-fluorobutan-2-ol
CID 105464112
1-(1,1-Dioxothian-3-yl)-1-fluoropropan-2-ol
CID 105464114
4-(1,1-Dioxothian-3-yl)-3-fluorobutan-2-ol
CID 105482103
4-(1,1-Dioxothian-4-yl)-3-fluorobutan-2-ol
CID 105482104
4-(1,1-Dioxothiolan-3-yl)-3,3-difluorobutan-2-ol
CID 105485478
4-(1,1-Dioxothian-4-yl)-3,3-difluorobutan-2-ol
CID 105503718
1-(3,3-Difluorocyclopentyl)-4-ethylsulfonylbutan-1-ol
CID 114215860
3-(2-Fluoropropyl)-1,1-dioxothian-4-ol
CID 115026929
1-(1,1-Dioxothiolan-2-yl)-2,2-dimethylpropan-1-ol
CID 284517
(2R,3R,4S)-1-tert-butylsulfinyl-3-methylhexane-2,4-diol
CID 101237270
(2S,3R,4S)-1-tert-butylsulfinyl-3-methylhexane-2,4-diol
CID 101237272
1-Cyclohexyl-1-propan-2-ylsulfonylbutan-2-ol
CID 20044168

Frequently Asked Questions

What is the IUPAC name of (1S)-2-tert-butylsulfonyl-1-cyclopentylethanol?
The IUPAC name of (1S)-2-tert-butylsulfonyl-1-cyclopentylethanol (CID 164968178) is (1S)-2-tert-butylsulfonyl-1-cyclopentylethanol.
What is the SMILES notation for (1S)-2-tert-butylsulfonyl-1-cyclopentylethanol?
The canonical SMILES for (1S)-2-tert-butylsulfonyl-1-cyclopentylethanol is CC(C)(C)S(=O)(=O)C[C@@H](O)C1CCCC1.
What is the InChIKey of (1S)-2-tert-butylsulfonyl-1-cyclopentylethanol?
The InChIKey is JGGWWDKGLODJDF-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H22O3S/c1-11(2,3)15(13,14)8-10(12)9-6-4-5-7-9/h9-10,12H,4-8H2,1-3H3/t10-/m1/s1.
What are the key properties of (1S)-2-tert-butylsulfonyl-1-cyclopentylethanol?
(1S)-2-tert-butylsulfonyl-1-cyclopentylethanol has a molecular weight of 234.36 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-tert-butylsulfonyl-1-cyclopentylethanol is sourced from PubChem (CID 164968178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).