CID 134794296

C17H23N5O2S — CID 134794296

IUPAC—
SMILESCn1nccc1CN1CCC2(CC1)CN[S+](=O)([O-])c1ccccc1N2
InChIInChI=1S/C17H23N5O2S/c1-21-14(6-9-18-21)12-22-10-7-17(8-11-22)13-19-25(23,24)16-5-3-2-4-15(16)20-17/h2-6,9,20H,7-8,10-13H2,1H3,(H-,19,23,24)
InChIKeyCJJOGDDXGQDEPN-UHFFFAOYSA-N
MW361.47 g/mol
LogP1.37
Rot. Bonds2

About CID 134794296

CID 134794296 (PubChem CID 134794296) has the molecular formula C17H23N5O2S and a molecular weight of 361.47 g/mol.

Molecular Properties

Compound NameCID 134794296
PubChem CID134794296
Molecular FormulaC17H23N5O2S
Molecular Weight361.47 g/mol
Exact Mass361.16
IUPAC Name—
SMILESCn1nccc1CN1CCC2(CC1)CN[S+](=O)([O-])c1ccccc1N2
InChIInChI=1S/C17H23N5O2S/c1-21-14(6-9-18-21)12-22-10-7-17(8-11-22)13-19-25(23,24)16-5-3-2-4-15(16)20-17/h2-6,9,20H,7-8,10-13H2,1H3,(H-,19,23,24)
InChIKeyCJJOGDDXGQDEPN-UHFFFAOYSA-N
XLogP1.37
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 51.37
H-Bond Donors ≤ 52
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 134794296?
The IUPAC name of CID 134794296 (CID 134794296) is not available.
What is the SMILES notation for CID 134794296?
The canonical SMILES for CID 134794296 is Cn1nccc1CN1CCC2(CC1)CN[S+](=O)([O-])c1ccccc1N2.
What is the InChIKey of CID 134794296?
The InChIKey is CJJOGDDXGQDEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2S/c1-21-14(6-9-18-21)12-22-10-7-17(8-11-22)13-19-25(23,24)16-5-3-2-4-15(16)20-17/h2-6,9,20H,7-8,10-13H2,1H3,(H-,19,23,24).
What are the key properties of CID 134794296?
CID 134794296 has a molecular weight of 361.47 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134794296 is sourced from PubChem (CID 134794296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).