CID 155750740

C11H17BNOS — CID 155750740

IUPAC—
SMILESCN1C(=S)OC2CC3(C)[B]C3(C)CCC21
InChIInChI=1S/C11H17BNOS/c1-10-5-4-7-8(6-11(10,2)12-10)14-9(15)13(7)3/h7-8H,4-6H2,1-3H3
InChIKeyTZHAQWWWQJNDDM-UHFFFAOYSA-N
MW222.14 g/mol
LogP2.23
Rot. Bonds

About CID 155750740

CID 155750740 (PubChem CID 155750740) has the molecular formula C11H17BNOS and a molecular weight of 222.14 g/mol.

Molecular Properties

Compound NameCID 155750740
PubChem CID155750740
Molecular FormulaC11H17BNOS
Molecular Weight222.14 g/mol
Exact Mass222.11
IUPAC Name—
SMILESCN1C(=S)OC2CC3(C)[B]C3(C)CCC21
InChIInChI=1S/C11H17BNOS/c1-10-5-4-7-8(6-11(10,2)12-10)14-9(15)13(7)3/h7-8H,4-6H2,1-3H3
InChIKeyTZHAQWWWQJNDDM-UHFFFAOYSA-N
XLogP2.23
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.14
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 155750740?
The IUPAC name of CID 155750740 (CID 155750740) is not available.
What is the SMILES notation for CID 155750740?
The canonical SMILES for CID 155750740 is CN1C(=S)OC2CC3(C)[B]C3(C)CCC21.
What is the InChIKey of CID 155750740?
The InChIKey is TZHAQWWWQJNDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BNOS/c1-10-5-4-7-8(6-11(10,2)12-10)14-9(15)13(7)3/h7-8H,4-6H2,1-3H3.
What are the key properties of CID 155750740?
CID 155750740 has a molecular weight of 222.14 g/mol, XLogP of 2.23, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155750740 is sourced from PubChem (CID 155750740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).