CID 58370067

C8H11BNO3S — CID 58370067

IUPAC—
SMILESO=C(CCSC1[B]C1)N1CCOC1=O
InChIInChI=1S/C8H11BNO3S/c11-7(1-4-14-6-5-9-6)10-2-3-13-8(10)12/h6H,1-5H2
InChIKeyCEMYQOVKWWPTHZ-UHFFFAOYSA-N
MW212.06 g/mol
LogP0.55
Rot. Bonds4

About CID 58370067

CID 58370067 (PubChem CID 58370067) has the molecular formula C8H11BNO3S and a molecular weight of 212.06 g/mol.

Molecular Properties

Compound NameCID 58370067
PubChem CID58370067
Molecular FormulaC8H11BNO3S
Molecular Weight212.06 g/mol
Exact Mass212.06
IUPAC Name—
SMILESO=C(CCSC1[B]C1)N1CCOC1=O
InChIInChI=1S/C8H11BNO3S/c11-7(1-4-14-6-5-9-6)10-2-3-13-8(10)12/h6H,1-5H2
InChIKeyCEMYQOVKWWPTHZ-UHFFFAOYSA-N
XLogP0.55
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.06
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

3-[(3S)-3-ethylsulfanylbutanoyl]-1,3-oxazolidin-2-one
CID 134995112
3-[(2S)-2-methyl-3-propylsulfanylpropanoyl]-1,3-oxazolidin-2-one
CID 164674983
3-[(3R)-3-butylsulfanylbutanoyl]-1,3-oxazolidin-2-one
CID 164683865
CID 88919363
CID 88919363
CID 123677810
CID 123677810
CID 162267139
CID 162267139
3-(3-Butylsulfanylbutanoyl)-1,3-oxazolidin-2-one
CID 11265081
3-[(3S)-3-butylsulfanylbutanoyl]-1,3-oxazolidin-2-one
CID 16742271
3-[(3S)-3-propan-2-ylsulfanylbutanoyl]-1,3-oxazolidin-2-one
CID 56595100
S-[(2R)-2-methyl-3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)propyl] ethanethioate
CID 102197435
3-[3-(Boriran-2-ylsulfanyl)propanoyl]-1,3-oxazolidin-2-one
CID 162267140

Frequently Asked Questions

What is the IUPAC name of CID 58370067?
The IUPAC name of CID 58370067 (CID 58370067) is not available.
What is the SMILES notation for CID 58370067?
The canonical SMILES for CID 58370067 is O=C(CCSC1[B]C1)N1CCOC1=O.
What is the InChIKey of CID 58370067?
The InChIKey is CEMYQOVKWWPTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BNO3S/c11-7(1-4-14-6-5-9-6)10-2-3-13-8(10)12/h6H,1-5H2.
What are the key properties of CID 58370067?
CID 58370067 has a molecular weight of 212.06 g/mol, XLogP of 0.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58370067 is sourced from PubChem (CID 58370067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).