CID 8608165

C15H19N4OS+ — CID 8608165

IUPAC—
SMILESN#C[C@]12C3(CCCCCC3)[C@@]1(C#N)C(N)=[NH+][C@@]21OCCS1
InChIInChI=1S/C15H18N4OS/c16-9-13-11(18)19-15(20-7-8-21-15)14(13,10-17)12(13)5-3-1-2-4-6-12/h1-8H2,(H2,18,19)/p+1/t13-,14+,15-/m1/s1
InChIKeyBCBIBADLBVTVSG-QLFBSQMISA-O
MW303.41 g/mol
LogP0.23
Rot. Bonds

About CID 8608165

CID 8608165 (PubChem CID 8608165) has the molecular formula C15H19N4OS+ and a molecular weight of 303.41 g/mol.

Molecular Properties

Compound NameCID 8608165
PubChem CID8608165
Molecular FormulaC15H19N4OS+
Molecular Weight303.41 g/mol
Exact Mass303.13
IUPAC Name—
SMILESN#C[C@]12C3(CCCCCC3)[C@@]1(C#N)C(N)=[NH+][C@@]21OCCS1
InChIInChI=1S/C15H18N4OS/c16-9-13-11(18)19-15(20-7-8-21-15)14(13,10-17)12(13)5-3-1-2-4-6-12/h1-8H2,(H2,18,19)/p+1/t13-,14+,15-/m1/s1
InChIKeyBCBIBADLBVTVSG-QLFBSQMISA-O
XLogP0.23
TPSA96.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of CID 8608165?
The IUPAC name of CID 8608165 (CID 8608165) is not available.
What is the SMILES notation for CID 8608165?
The canonical SMILES for CID 8608165 is N#C[C@]12C3(CCCCCC3)[C@@]1(C#N)C(N)=[NH+][C@@]21OCCS1.
What is the InChIKey of CID 8608165?
The InChIKey is BCBIBADLBVTVSG-QLFBSQMISA-O. The full InChI is InChI=1S/C15H18N4OS/c16-9-13-11(18)19-15(20-7-8-21-15)14(13,10-17)12(13)5-3-1-2-4-6-12/h1-8H2,(H2,18,19)/p+1/t13-,14+,15-/m1/s1.
What are the key properties of CID 8608165?
CID 8608165 has a molecular weight of 303.41 g/mol, XLogP of 0.23, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 8608165 is sourced from PubChem (CID 8608165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).