CID 134789489

C11H19N5O2S — CID 134789489

IUPAC—
SMILESC[S+](=O)([O-])N1CCCC(c2nnc3n2CCNC3)C1
InChIInChI=1S/C11H19N5O2S/c1-19(17,18)15-5-2-3-9(8-15)11-14-13-10-7-12-4-6-16(10)11/h9,12H,2-8H2,1H3
InChIKeyRQLKBIMTNSJHGJ-UHFFFAOYSA-N
MW285.37 g/mol
LogP-0.26
Rot. Bonds2

About CID 134789489

CID 134789489 (PubChem CID 134789489) has the molecular formula C11H19N5O2S and a molecular weight of 285.37 g/mol.

Molecular Properties

Compound NameCID 134789489
PubChem CID134789489
Molecular FormulaC11H19N5O2S
Molecular Weight285.37 g/mol
Exact Mass285.13
IUPAC Name—
SMILESC[S+](=O)([O-])N1CCCC(c2nnc3n2CCNC3)C1
InChIInChI=1S/C11H19N5O2S/c1-19(17,18)15-5-2-3-9(8-15)11-14-13-10-7-12-4-6-16(10)11/h9,12H,2-8H2,1H3
InChIKeyRQLKBIMTNSJHGJ-UHFFFAOYSA-N
XLogP-0.26
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 134789489?
The IUPAC name of CID 134789489 (CID 134789489) is not available.
What is the SMILES notation for CID 134789489?
The canonical SMILES for CID 134789489 is C[S+](=O)([O-])N1CCCC(c2nnc3n2CCNC3)C1.
What is the InChIKey of CID 134789489?
The InChIKey is RQLKBIMTNSJHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2S/c1-19(17,18)15-5-2-3-9(8-15)11-14-13-10-7-12-4-6-16(10)11/h9,12H,2-8H2,1H3.
What are the key properties of CID 134789489?
CID 134789489 has a molecular weight of 285.37 g/mol, XLogP of -0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134789489 is sourced from PubChem (CID 134789489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).