CID 134797120

C16H25N5O5S — CID 134797120

IUPAC—
SMILESCCOC(=O)C1CCN(C(=O)C2CCc3nnc(CN[S+](C)(=O)[O-])n32)CC1
InChIInChI=1S/C16H25N5O5S/c1-3-26-16(23)11-6-8-20(9-7-11)15(22)12-4-5-13-18-19-14(21(12)13)10-17-27(2,24)25/h11-12H,3-10H2,1-2H3,(H-,17,24,25)
InChIKeyKFDCUTWTEZGTBM-UHFFFAOYSA-N
MW399.47 g/mol
LogP-0.17
Rot. Bonds6

About CID 134797120

CID 134797120 (PubChem CID 134797120) has the molecular formula C16H25N5O5S and a molecular weight of 399.47 g/mol.

Molecular Properties

Compound NameCID 134797120
PubChem CID134797120
Molecular FormulaC16H25N5O5S
Molecular Weight399.47 g/mol
Exact Mass399.16
IUPAC Name—
SMILESCCOC(=O)C1CCN(C(=O)C2CCc3nnc(CN[S+](C)(=O)[O-])n32)CC1
InChIInChI=1S/C16H25N5O5S/c1-3-26-16(23)11-6-8-20(9-7-11)15(22)12-4-5-13-18-19-14(21(12)13)10-17-27(2,24)25/h11-12H,3-10H2,1-2H3,(H-,17,24,25)
InChIKeyKFDCUTWTEZGTBM-UHFFFAOYSA-N
XLogP-0.17
TPSA129.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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 134797120?
The IUPAC name of CID 134797120 (CID 134797120) is not available.
What is the SMILES notation for CID 134797120?
The canonical SMILES for CID 134797120 is CCOC(=O)C1CCN(C(=O)C2CCc3nnc(CN[S+](C)(=O)[O-])n32)CC1.
What is the InChIKey of CID 134797120?
The InChIKey is KFDCUTWTEZGTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O5S/c1-3-26-16(23)11-6-8-20(9-7-11)15(22)12-4-5-13-18-19-14(21(12)13)10-17-27(2,24)25/h11-12H,3-10H2,1-2H3,(H-,17,24,25).
What are the key properties of CID 134797120?
CID 134797120 has a molecular weight of 399.47 g/mol, XLogP of -0.17, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134797120 is sourced from PubChem (CID 134797120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).