CID 59411859

C11H24N2OS+ — CID 59411859

IUPAC—
SMILESCC(C)NC(=O)[CH]CSCC[N+](C)(C)C
InChIInChI=1S/C11H23N2OS/c1-10(2)12-11(14)6-8-15-9-7-13(3,4)5/h6,10H,7-9H2,1-5H3/p+1
InChIKeyOBZUMRCFSCHJJB-UHFFFAOYSA-O
MW232.39 g/mol
LogP1.15
Rot. Bonds7

About CID 59411859

CID 59411859 (PubChem CID 59411859) has the molecular formula C11H24N2OS+ and a molecular weight of 232.39 g/mol.

Molecular Properties

Compound NameCID 59411859
PubChem CID59411859
Molecular FormulaC11H24N2OS+
Molecular Weight232.39 g/mol
Exact Mass232.16
IUPAC Name—
SMILESCC(C)NC(=O)[CH]CSCC[N+](C)(C)C
InChIInChI=1S/C11H23N2OS/c1-10(2)12-11(14)6-8-15-9-7-13(3,4)5/h6,10H,7-9H2,1-5H3/p+1
InChIKeyOBZUMRCFSCHJJB-UHFFFAOYSA-O
XLogP1.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.39
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 59411859?
The IUPAC name of CID 59411859 (CID 59411859) is not available.
What is the SMILES notation for CID 59411859?
The canonical SMILES for CID 59411859 is CC(C)NC(=O)[CH]CSCC[N+](C)(C)C.
What is the InChIKey of CID 59411859?
The InChIKey is OBZUMRCFSCHJJB-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H23N2OS/c1-10(2)12-11(14)6-8-15-9-7-13(3,4)5/h6,10H,7-9H2,1-5H3/p+1.
What are the key properties of CID 59411859?
CID 59411859 has a molecular weight of 232.39 g/mol, XLogP of 1.15, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59411859 is sourced from PubChem (CID 59411859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).