CID 134794826

C18H26N2O3S — CID 134794826

IUPAC—
SMILESCc1ccc([S+](=O)([O-])N2CCC(N3CCCCCC3=O)CC2)cc1
InChIInChI=1S/C18H26N2O3S/c1-15-6-8-17(9-7-15)24(22,23)19-13-10-16(11-14-19)20-12-4-2-3-5-18(20)21/h6-9,16H,2-5,10-14H2,1H3
InChIKeyFTEYCFOWTBQQHB-UHFFFAOYSA-N
MW350.48 g/mol
LogP2.77
Rot. Bonds3

About CID 134794826

CID 134794826 (PubChem CID 134794826) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol.

Molecular Properties

Compound NameCID 134794826
PubChem CID134794826
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC Name—
SMILESCc1ccc([S+](=O)([O-])N2CCC(N3CCCCCC3=O)CC2)cc1
InChIInChI=1S/C18H26N2O3S/c1-15-6-8-17(9-7-15)24(22,23)19-13-10-16(11-14-19)20-12-4-2-3-5-18(20)21/h6-9,16H,2-5,10-14H2,1H3
InChIKeyFTEYCFOWTBQQHB-UHFFFAOYSA-N
XLogP2.77
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 134794826?
The IUPAC name of CID 134794826 (CID 134794826) is not available.
What is the SMILES notation for CID 134794826?
The canonical SMILES for CID 134794826 is Cc1ccc([S+](=O)([O-])N2CCC(N3CCCCCC3=O)CC2)cc1.
What is the InChIKey of CID 134794826?
The InChIKey is FTEYCFOWTBQQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3S/c1-15-6-8-17(9-7-15)24(22,23)19-13-10-16(11-14-19)20-12-4-2-3-5-18(20)21/h6-9,16H,2-5,10-14H2,1H3.
What are the key properties of CID 134794826?
CID 134794826 has a molecular weight of 350.48 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134794826 is sourced from PubChem (CID 134794826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).