(3S)-3-(tert-butylsulfonylmethyl)oxolane

C9H18O3S — CID 71231781

IUPAC(3S)-3-(tert-butylsulfonylmethyl)oxolane
SMILESCC(C)(C)S(=O)(=O)C[C@H]1CCOC1
InChIInChI=1S/C9H18O3S/c1-9(2,3)13(10,11)7-8-4-5-12-6-8/h8H,4-7H2,1-3H3/t8-/m0/s1
InChIKeyKVJLVLCXSASOAW-QMMMGPOBSA-N
MW206.31 g/mol
LogP1.24
Rot. Bonds2

About (3S)-3-(tert-butylsulfonylmethyl)oxolane

(3S)-3-(tert-butylsulfonylmethyl)oxolane (PubChem CID 71231781) has the molecular formula C9H18O3S and a molecular weight of 206.31 g/mol. Its IUPAC name is (3S)-3-(tert-butylsulfonylmethyl)oxolane.

Molecular Properties

Compound Name(3S)-3-(tert-butylsulfonylmethyl)oxolane
PubChem CID71231781
Molecular FormulaC9H18O3S
Molecular Weight206.31 g/mol
Exact Mass206.10
IUPAC Name(3S)-3-(tert-butylsulfonylmethyl)oxolane
SMILESCC(C)(C)S(=O)(=O)C[C@H]1CCOC1
InChIInChI=1S/C9H18O3S/c1-9(2,3)13(10,11)7-8-4-5-12-6-8/h8H,4-7H2,1-3H3/t8-/m0/s1
InChIKeyKVJLVLCXSASOAW-QMMMGPOBSA-N
XLogP1.24
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 ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(tert-butylsulfonylmethyl)oxolane?
The IUPAC name of (3S)-3-(tert-butylsulfonylmethyl)oxolane (CID 71231781) is (3S)-3-(tert-butylsulfonylmethyl)oxolane.
What is the SMILES notation for (3S)-3-(tert-butylsulfonylmethyl)oxolane?
The canonical SMILES for (3S)-3-(tert-butylsulfonylmethyl)oxolane is CC(C)(C)S(=O)(=O)C[C@H]1CCOC1.
What is the InChIKey of (3S)-3-(tert-butylsulfonylmethyl)oxolane?
The InChIKey is KVJLVLCXSASOAW-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H18O3S/c1-9(2,3)13(10,11)7-8-4-5-12-6-8/h8H,4-7H2,1-3H3/t8-/m0/s1.
What are the key properties of (3S)-3-(tert-butylsulfonylmethyl)oxolane?
(3S)-3-(tert-butylsulfonylmethyl)oxolane has a molecular weight of 206.31 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(tert-butylsulfonylmethyl)oxolane is sourced from PubChem (CID 71231781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).