CID 59921320

C13H19N2O5S — CID 59921320

IUPAC—
SMILESCC(C)NC(=O)[CH]CSCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C13H19N2O5S/c1-9(2)14-10(16)5-7-21-8-6-13(19)20-15-11(17)3-4-12(15)18/h5,9H,3-4,6-8H2,1-2H3,(H,14,16)
InChIKeyAHNRWWXYGLVYTC-UHFFFAOYSA-N
MW315.37 g/mol
LogP0.45
Rot. Bonds8

About CID 59921320

CID 59921320 (PubChem CID 59921320) has the molecular formula C13H19N2O5S and a molecular weight of 315.37 g/mol.

Molecular Properties

Compound NameCID 59921320
PubChem CID59921320
Molecular FormulaC13H19N2O5S
Molecular Weight315.37 g/mol
Exact Mass315.10
IUPAC Name—
SMILESCC(C)NC(=O)[CH]CSCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C13H19N2O5S/c1-9(2)14-10(16)5-7-21-8-6-13(19)20-15-11(17)3-4-12(15)18/h5,9H,3-4,6-8H2,1-2H3,(H,14,16)
InChIKeyAHNRWWXYGLVYTC-UHFFFAOYSA-N
XLogP0.45
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 59921320?
The IUPAC name of CID 59921320 (CID 59921320) is not available.
What is the SMILES notation for CID 59921320?
The canonical SMILES for CID 59921320 is CC(C)NC(=O)[CH]CSCCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of CID 59921320?
The InChIKey is AHNRWWXYGLVYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N2O5S/c1-9(2)14-10(16)5-7-21-8-6-13(19)20-15-11(17)3-4-12(15)18/h5,9H,3-4,6-8H2,1-2H3,(H,14,16).
What are the key properties of CID 59921320?
CID 59921320 has a molecular weight of 315.37 g/mol, XLogP of 0.45, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59921320 is sourced from PubChem (CID 59921320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).