CID 177389615

C15H21N2O2S — CID 177389615

IUPAC—
SMILESCSCc1ccc(C2=[N+]([O-])C(C)(C)C(C)(C)N2[O])cc1
InChIInChI=1S/C15H21N2O2S/c1-14(2)15(3,4)17(19)13(16(14)18)12-8-6-11(7-9-12)10-20-5/h6-9H,10H2,1-5H3
InChIKeyPOYIKDIKXSZHHV-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.02
Rot. Bonds3

About CID 177389615

CID 177389615 (PubChem CID 177389615) has the molecular formula C15H21N2O2S and a molecular weight of 293.41 g/mol.

Molecular Properties

Compound NameCID 177389615
PubChem CID177389615
Molecular FormulaC15H21N2O2S
Molecular Weight293.41 g/mol
Exact Mass293.13
IUPAC Name—
SMILESCSCc1ccc(C2=[N+]([O-])C(C)(C)C(C)(C)N2[O])cc1
InChIInChI=1S/C15H21N2O2S/c1-14(2)15(3,4)17(19)13(16(14)18)12-8-6-11(7-9-12)10-20-5/h6-9H,10H2,1-5H3
InChIKeyPOYIKDIKXSZHHV-UHFFFAOYSA-N
XLogP3.02
TPSA49.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze CID 177389615 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 177389615?
The IUPAC name of CID 177389615 (CID 177389615) is not available.
What is the SMILES notation for CID 177389615?
The canonical SMILES for CID 177389615 is CSCc1ccc(C2=[N+]([O-])C(C)(C)C(C)(C)N2[O])cc1.
What is the InChIKey of CID 177389615?
The InChIKey is POYIKDIKXSZHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N2O2S/c1-14(2)15(3,4)17(19)13(16(14)18)12-8-6-11(7-9-12)10-20-5/h6-9H,10H2,1-5H3.
What are the key properties of CID 177389615?
CID 177389615 has a molecular weight of 293.41 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177389615 is sourced from PubChem (CID 177389615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).