CID 67976825

C10H18BN2OS — CID 67976825

IUPAC—
SMILESC[B]c1cnc(OCCN(CC)CC)s1
InChIInChI=1S/C10H18BN2OS/c1-4-13(5-2)6-7-14-10-12-8-9(11-3)15-10/h8H,4-7H2,1-3H3
InChIKeyHFEHJDNMIFJCEH-UHFFFAOYSA-N
MW225.15 g/mol
LogP1.24
Rot. Bonds7

About CID 67976825

CID 67976825 (PubChem CID 67976825) has the molecular formula C10H18BN2OS and a molecular weight of 225.15 g/mol.

Molecular Properties

Compound NameCID 67976825
PubChem CID67976825
Molecular FormulaC10H18BN2OS
Molecular Weight225.15 g/mol
Exact Mass225.12
IUPAC Name—
SMILESC[B]c1cnc(OCCN(CC)CC)s1
InChIInChI=1S/C10H18BN2OS/c1-4-13(5-2)6-7-14-10-12-8-9(11-3)15-10/h8H,4-7H2,1-3H3
InChIKeyHFEHJDNMIFJCEH-UHFFFAOYSA-N
XLogP1.24
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.15
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 67976825?
The IUPAC name of CID 67976825 (CID 67976825) is not available.
What is the SMILES notation for CID 67976825?
The canonical SMILES for CID 67976825 is C[B]c1cnc(OCCN(CC)CC)s1.
What is the InChIKey of CID 67976825?
The InChIKey is HFEHJDNMIFJCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BN2OS/c1-4-13(5-2)6-7-14-10-12-8-9(11-3)15-10/h8H,4-7H2,1-3H3.
What are the key properties of CID 67976825?
CID 67976825 has a molecular weight of 225.15 g/mol, XLogP of 1.24, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67976825 is sourced from PubChem (CID 67976825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).