tert-butylsulfonylmethanol

C5H12O3S — CID 21399338

IUPACtert-butylsulfonylmethanol
SMILESCC(C)(C)S(=O)(=O)CO
InChIInChI=1S/C5H12O3S/c1-5(2,3)9(7,8)4-6/h6H,4H2,1-3H3
InChIKeyDJTUJMJRPQHLRA-UHFFFAOYSA-N
MW152.21 g/mol
LogP0.15
Rot. Bonds1

About tert-butylsulfonylmethanol

tert-butylsulfonylmethanol (PubChem CID 21399338) has the molecular formula C5H12O3S and a molecular weight of 152.21 g/mol. Its IUPAC name is tert-butylsulfonylmethanol.

Molecular Properties

Compound Nametert-butylsulfonylmethanol
PubChem CID21399338
Molecular FormulaC5H12O3S
Molecular Weight152.21 g/mol
Exact Mass152.05
IUPAC Nametert-butylsulfonylmethanol
SMILESCC(C)(C)S(=O)(=O)CO
InChIInChI=1S/C5H12O3S/c1-5(2,3)9(7,8)4-6/h6H,4H2,1-3H3
InChIKeyDJTUJMJRPQHLRA-UHFFFAOYSA-N
XLogP0.15
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.21
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butylsulfonylmethanol?
The IUPAC name of tert-butylsulfonylmethanol (CID 21399338) is tert-butylsulfonylmethanol.
What is the SMILES notation for tert-butylsulfonylmethanol?
The canonical SMILES for tert-butylsulfonylmethanol is CC(C)(C)S(=O)(=O)CO.
What is the InChIKey of tert-butylsulfonylmethanol?
The InChIKey is DJTUJMJRPQHLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O3S/c1-5(2,3)9(7,8)4-6/h6H,4H2,1-3H3.
What are the key properties of tert-butylsulfonylmethanol?
tert-butylsulfonylmethanol has a molecular weight of 152.21 g/mol, XLogP of 0.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylsulfonylmethanol is sourced from PubChem (CID 21399338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).