(2S)-2-tert-butylsulfonylbutane

C8H18O2S — CID 89078187

IUPAC(2S)-2-tert-butylsulfonylbutane
SMILESCC[C@H](C)S(=O)(=O)C(C)(C)C
InChIInChI=1S/C8H18O2S/c1-6-7(2)11(9,10)8(3,4)5/h7H,6H2,1-5H3/t7-/m0/s1
InChIKeyRMFCPYSKIICFCY-ZETCQYMHSA-N
MW178.30 g/mol
LogP2.00
Rot. Bonds2

About (2S)-2-tert-butylsulfonylbutane

(2S)-2-tert-butylsulfonylbutane (PubChem CID 89078187) has the molecular formula C8H18O2S and a molecular weight of 178.30 g/mol. Its IUPAC name is (2S)-2-tert-butylsulfonylbutane.

Molecular Properties

Compound Name(2S)-2-tert-butylsulfonylbutane
PubChem CID89078187
Molecular FormulaC8H18O2S
Molecular Weight178.30 g/mol
Exact Mass178.10
IUPAC Name(2S)-2-tert-butylsulfonylbutane
SMILESCC[C@H](C)S(=O)(=O)C(C)(C)C
InChIInChI=1S/C8H18O2S/c1-6-7(2)11(9,10)8(3,4)5/h7H,6H2,1-5H3/t7-/m0/s1
InChIKeyRMFCPYSKIICFCY-ZETCQYMHSA-N
XLogP2.00
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.30
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-tert-butylsulfonylbutane?
The IUPAC name of (2S)-2-tert-butylsulfonylbutane (CID 89078187) is (2S)-2-tert-butylsulfonylbutane.
What is the SMILES notation for (2S)-2-tert-butylsulfonylbutane?
The canonical SMILES for (2S)-2-tert-butylsulfonylbutane is CC[C@H](C)S(=O)(=O)C(C)(C)C.
What is the InChIKey of (2S)-2-tert-butylsulfonylbutane?
The InChIKey is RMFCPYSKIICFCY-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H18O2S/c1-6-7(2)11(9,10)8(3,4)5/h7H,6H2,1-5H3/t7-/m0/s1.
What are the key properties of (2S)-2-tert-butylsulfonylbutane?
(2S)-2-tert-butylsulfonylbutane has a molecular weight of 178.30 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 (2S)-2-tert-butylsulfonylbutane is sourced from PubChem (CID 89078187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).