CID 10641431

C11H15O3S — CID 10641431

IUPAC—
SMILESCOC(=O)[C]1[CH][CH][CH][C]1[S@](=O)C(C)(C)C
InChIInChI=1S/C11H15O3S/c1-11(2,3)15(13)9-7-5-6-8(9)10(12)14-4/h5-7H,1-4H3/t15-/m0/s1
InChIKeyDSPGJGWBTPXXRV-HNNXBMFYSA-N
MW227.30 g/mol
LogP1.44
Rot. Bonds2

About CID 10641431

CID 10641431 (PubChem CID 10641431) has the molecular formula C11H15O3S and a molecular weight of 227.30 g/mol.

Molecular Properties

Compound NameCID 10641431
PubChem CID10641431
Molecular FormulaC11H15O3S
Molecular Weight227.30 g/mol
Exact Mass227.07
IUPAC Name—
SMILESCOC(=O)[C]1[CH][CH][CH][C]1[S@](=O)C(C)(C)C
InChIInChI=1S/C11H15O3S/c1-11(2,3)15(13)9-7-5-6-8(9)10(12)14-4/h5-7H,1-4H3/t15-/m0/s1
InChIKeyDSPGJGWBTPXXRV-HNNXBMFYSA-N
XLogP1.44
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 10641431?
The IUPAC name of CID 10641431 (CID 10641431) is not available.
What is the SMILES notation for CID 10641431?
The canonical SMILES for CID 10641431 is COC(=O)[C]1[CH][CH][CH][C]1[S@](=O)C(C)(C)C.
What is the InChIKey of CID 10641431?
The InChIKey is DSPGJGWBTPXXRV-HNNXBMFYSA-N. The full InChI is InChI=1S/C11H15O3S/c1-11(2,3)15(13)9-7-5-6-8(9)10(12)14-4/h5-7H,1-4H3/t15-/m0/s1.
What are the key properties of CID 10641431?
CID 10641431 has a molecular weight of 227.30 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10641431 is sourced from PubChem (CID 10641431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).