2-(2-tert-butylsulfonylethyl)-3-methylbutan-1-ol

C11H24O3S — CID 106734343

IUPAC2-(2-tert-butylsulfonylethyl)-3-methylbutan-1-ol
SMILESCC(C)C(CO)CCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C11H24O3S/c1-9(2)10(8-12)6-7-15(13,14)11(3,4)5/h9-10,12H,6-8H2,1-5H3
InChIKeyGDKCFIAPMJCHAB-UHFFFAOYSA-N
MW236.38 g/mol
LogP1.85
Rot. Bonds5

About 2-(2-tert-butylsulfonylethyl)-3-methylbutan-1-ol

2-(2-tert-butylsulfonylethyl)-3-methylbutan-1-ol (PubChem CID 106734343) has the molecular formula C11H24O3S and a molecular weight of 236.38 g/mol. Its IUPAC name is 2-(2-tert-butylsulfonylethyl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-(2-tert-butylsulfonylethyl)-3-methylbutan-1-ol
PubChem CID106734343
Molecular FormulaC11H24O3S
Molecular Weight236.38 g/mol
Exact Mass236.14
IUPAC Name2-(2-tert-butylsulfonylethyl)-3-methylbutan-1-ol
SMILESCC(C)C(CO)CCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C11H24O3S/c1-9(2)10(8-12)6-7-15(13,14)11(3,4)5/h9-10,12H,6-8H2,1-5H3
InChIKeyGDKCFIAPMJCHAB-UHFFFAOYSA-N
XLogP1.85
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-tert-butylsulfonylethyl)-3-methylbutanoic acid
CID 106727780
5-tert-butylsulfonyl-3-ethyl-N-methylpentan-2-amine
CID 106727174
2-(2-tert-butylsulfonylethylamino)-3-methylbutan-1-ol
CID 106723969
6-tert-butylsulfonyl-4-methylhexan-2-ol
CID 106732458
5,5-dimethyl-2-propan-2-ylhexan-1-ol
CID 66057517
2-(2-tert-butylsulfonylethyl)-3,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 106730297
5-tert-butylsulfonyl-N-ethyl-3-methylpentan-2-amine
CID 106727166
2-(2-tert-butylsulfonylethyl)pentanoic acid
CID 106727777
(2R)-4,4-dimethyl-2-propan-2-ylpentan-1-ol
CID 167343792
(2S)-2-propan-2-ylhexane-1,5-diol
CID 10888208
4-tert-butylsulfonyl-2-ethylbutan-1-amine
CID 106729540
5-tert-butylsulfonylpentan-1-ol
CID 14965524

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylsulfonylethyl)-3-methylbutan-1-ol?
The IUPAC name of 2-(2-tert-butylsulfonylethyl)-3-methylbutan-1-ol (CID 106734343) is 2-(2-tert-butylsulfonylethyl)-3-methylbutan-1-ol.
What is the SMILES notation for 2-(2-tert-butylsulfonylethyl)-3-methylbutan-1-ol?
The canonical SMILES for 2-(2-tert-butylsulfonylethyl)-3-methylbutan-1-ol is CC(C)C(CO)CCS(=O)(=O)C(C)(C)C.
What is the InChIKey of 2-(2-tert-butylsulfonylethyl)-3-methylbutan-1-ol?
The InChIKey is GDKCFIAPMJCHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O3S/c1-9(2)10(8-12)6-7-15(13,14)11(3,4)5/h9-10,12H,6-8H2,1-5H3.
What are the key properties of 2-(2-tert-butylsulfonylethyl)-3-methylbutan-1-ol?
2-(2-tert-butylsulfonylethyl)-3-methylbutan-1-ol has a molecular weight of 236.38 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylsulfonylethyl)-3-methylbutan-1-ol is sourced from PubChem (CID 106734343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).