(2S)-2-(tert-butylsulfonylmethyl)oxolane

C9H18O3S — CID 165172638

IUPAC(2S)-2-(tert-butylsulfonylmethyl)oxolane
SMILESCC(C)(C)S(=O)(=O)C[C@@H]1CCCO1
InChIInChI=1S/C9H18O3S/c1-9(2,3)13(10,11)7-8-5-4-6-12-8/h8H,4-7H2,1-3H3/t8-/m0/s1
InChIKeyZQJWHAZSTVNDMG-QMMMGPOBSA-N
MW206.31 g/mol
LogP1.38
Rot. Bonds2

About (2S)-2-(tert-butylsulfonylmethyl)oxolane

(2S)-2-(tert-butylsulfonylmethyl)oxolane (PubChem CID 165172638) has the molecular formula C9H18O3S and a molecular weight of 206.31 g/mol. Its IUPAC name is (2S)-2-(tert-butylsulfonylmethyl)oxolane.

Molecular Properties

Compound Name(2S)-2-(tert-butylsulfonylmethyl)oxolane
PubChem CID165172638
Molecular FormulaC9H18O3S
Molecular Weight206.31 g/mol
Exact Mass206.10
IUPAC Name(2S)-2-(tert-butylsulfonylmethyl)oxolane
SMILESCC(C)(C)S(=O)(=O)C[C@@H]1CCCO1
InChIInChI=1S/C9H18O3S/c1-9(2,3)13(10,11)7-8-5-4-6-12-8/h8H,4-7H2,1-3H3/t8-/m0/s1
InChIKeyZQJWHAZSTVNDMG-QMMMGPOBSA-N
XLogP1.38
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-tert-butylsulfonylethyl)oxolane
CID 59159510
(2R)-2-(methylsulfonylmethyl)oxolane
CID 68993549
(2R)-2-ethyloxolane
CID 641529
azane;2-ethyloxolane
CID 174465001
N-(3-hydroxy-2,2-dimethylpropyl)-1-(oxolan-2-yl)methanesulfonamide
CID 115363119
N-(2,3-dihydroxy-2-methylpropyl)-1-(oxolan-2-yl)methanesulfonamide
CID 66169492
N-(1-hydroxy-2-methylbutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide
CID 64556226
N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-(oxolan-2-yl)methanesulfonamide
CID 79387072
(2S)-2-(2,2-dimethylpropyl)oxolane
CID 58780523
(2R)-2-(2,2-dimethylpropyl)oxolane
CID 58780469
2-chloro-5,5,6,6,6-pentafluoro-2-(oxolan-2-ylmethylsulfonyl)hexanamide
CID 58478683
N-(1-amino-2,3-dimethylbutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide
CID 113284015

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(tert-butylsulfonylmethyl)oxolane?
The IUPAC name of (2S)-2-(tert-butylsulfonylmethyl)oxolane (CID 165172638) is (2S)-2-(tert-butylsulfonylmethyl)oxolane.
What is the SMILES notation for (2S)-2-(tert-butylsulfonylmethyl)oxolane?
The canonical SMILES for (2S)-2-(tert-butylsulfonylmethyl)oxolane is CC(C)(C)S(=O)(=O)C[C@@H]1CCCO1.
What is the InChIKey of (2S)-2-(tert-butylsulfonylmethyl)oxolane?
The InChIKey is ZQJWHAZSTVNDMG-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H18O3S/c1-9(2,3)13(10,11)7-8-5-4-6-12-8/h8H,4-7H2,1-3H3/t8-/m0/s1.
What are the key properties of (2S)-2-(tert-butylsulfonylmethyl)oxolane?
(2S)-2-(tert-butylsulfonylmethyl)oxolane has a molecular weight of 206.31 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(tert-butylsulfonylmethyl)oxolane is sourced from PubChem (CID 165172638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).