CID 143452875

C15H21N2NaO2OsS — CID 143452875

IUPAC—
SMILESCC(C)N1CCN(C(=O)c2ccc(C(O)[S-])cc2)CC1.[Na].[Os+]
InChIInChI=1S/C15H22N2O2S.Na.Os/c1-11(2)16-7-9-17(10-8-16)14(18)12-3-5-13(6-4-12)15(19)20;;/h3-6,11,15,19-20H,7-10H2,1-2H3;;/q;;+1/p-1
InChIKeyRZRIRCQDALZKDX-UHFFFAOYSA-M
MW506.63 g/mol
LogP1.01
Rot. Bonds3

About CID 143452875

CID 143452875 (PubChem CID 143452875) has the molecular formula C15H21N2NaO2OsS and a molecular weight of 506.63 g/mol.

Molecular Properties

Compound NameCID 143452875
PubChem CID143452875
Molecular FormulaC15H21N2NaO2OsS
Molecular Weight506.63 g/mol
Exact Mass508.08
IUPAC Name—
SMILESCC(C)N1CCN(C(=O)c2ccc(C(O)[S-])cc2)CC1.[Na].[Os+]
InChIInChI=1S/C15H22N2O2S.Na.Os/c1-11(2)16-7-9-17(10-8-16)14(18)12-3-5-13(6-4-12)15(19)20;;/h3-6,11,15,19-20H,7-10H2,1-2H3;;/q;;+1/p-1
InChIKeyRZRIRCQDALZKDX-UHFFFAOYSA-M
XLogP1.01
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.63
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 143452875?
The IUPAC name of CID 143452875 (CID 143452875) is not available.
What is the SMILES notation for CID 143452875?
The canonical SMILES for CID 143452875 is CC(C)N1CCN(C(=O)c2ccc(C(O)[S-])cc2)CC1.[Na].[Os+].
What is the InChIKey of CID 143452875?
The InChIKey is RZRIRCQDALZKDX-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H22N2O2S.Na.Os/c1-11(2)16-7-9-17(10-8-16)14(18)12-3-5-13(6-4-12)15(19)20;;/h3-6,11,15,19-20H,7-10H2,1-2H3;;/q;;+1/p-1.
What are the key properties of CID 143452875?
CID 143452875 has a molecular weight of 506.63 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 143452875 is sourced from PubChem (CID 143452875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).