CID 174144115

C8H15BO2S — CID 174144115

IUPAC—
SMILES[B][C@]1(CCC)OCC(SO)[C@H]1C
InChIInChI=1S/C8H15BO2S/c1-3-4-8(9)6(2)7(12-10)5-11-8/h6-7,10H,3-5H2,1-2H3/t6-,7?,8-/m1/s1
InChIKeyIJMHOLUNVHDOSO-OECOWPMFSA-N
MW186.08 g/mol
LogP1.89
Rot. Bonds3

About CID 174144115

CID 174144115 (PubChem CID 174144115) has the molecular formula C8H15BO2S and a molecular weight of 186.08 g/mol.

Molecular Properties

Compound NameCID 174144115
PubChem CID174144115
Molecular FormulaC8H15BO2S
Molecular Weight186.08 g/mol
Exact Mass186.09
IUPAC Name—
SMILES[B][C@]1(CCC)OCC(SO)[C@H]1C
InChIInChI=1S/C8H15BO2S/c1-3-4-8(9)6(2)7(12-10)5-11-8/h6-7,10H,3-5H2,1-2H3/t6-,7?,8-/m1/s1
InChIKeyIJMHOLUNVHDOSO-OECOWPMFSA-N
XLogP1.89
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.08
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 174144115?
The IUPAC name of CID 174144115 (CID 174144115) is not available.
What is the SMILES notation for CID 174144115?
The canonical SMILES for CID 174144115 is [B][C@]1(CCC)OCC(SO)[C@H]1C.
What is the InChIKey of CID 174144115?
The InChIKey is IJMHOLUNVHDOSO-OECOWPMFSA-N. The full InChI is InChI=1S/C8H15BO2S/c1-3-4-8(9)6(2)7(12-10)5-11-8/h6-7,10H,3-5H2,1-2H3/t6-,7?,8-/m1/s1.
What are the key properties of CID 174144115?
CID 174144115 has a molecular weight of 186.08 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174144115 is sourced from PubChem (CID 174144115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).