CID 174045710

C15H28BNS — CID 174045710

IUPAC—
SMILES[B]CCC1SC(CC)=C(C(C)C)C1CCCCN
InChIInChI=1S/C15H28BNS/c1-4-13-15(11(2)3)12(7-5-6-10-17)14(18-13)8-9-16/h11-12,14H,4-10,17H2,1-3H3
InChIKeyQJXKKLZESCUROG-UHFFFAOYSA-N
MW265.27 g/mol
LogP4.14
Rot. Bonds8

About CID 174045710

CID 174045710 (PubChem CID 174045710) has the molecular formula C15H28BNS and a molecular weight of 265.27 g/mol.

Molecular Properties

Compound NameCID 174045710
PubChem CID174045710
Molecular FormulaC15H28BNS
Molecular Weight265.27 g/mol
Exact Mass265.20
IUPAC Name—
SMILES[B]CCC1SC(CC)=C(C(C)C)C1CCCCN
InChIInChI=1S/C15H28BNS/c1-4-13-15(11(2)3)12(7-5-6-10-17)14(18-13)8-9-16/h11-12,14H,4-10,17H2,1-3H3
InChIKeyQJXKKLZESCUROG-UHFFFAOYSA-N
XLogP4.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 174045710?
The IUPAC name of CID 174045710 (CID 174045710) is not available.
What is the SMILES notation for CID 174045710?
The canonical SMILES for CID 174045710 is [B]CCC1SC(CC)=C(C(C)C)C1CCCCN.
What is the InChIKey of CID 174045710?
The InChIKey is QJXKKLZESCUROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28BNS/c1-4-13-15(11(2)3)12(7-5-6-10-17)14(18-13)8-9-16/h11-12,14H,4-10,17H2,1-3H3.
What are the key properties of CID 174045710?
CID 174045710 has a molecular weight of 265.27 g/mol, XLogP of 4.14, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174045710 is sourced from PubChem (CID 174045710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).