CID 11785227

C17H29N2S — CID 11785227

IUPAC—
SMILES[H]/N=C(\N)SCCCCCCCCCCC[C]1[CH][CH][CH][CH]1
InChIInChI=1S/C17H29N2S/c18-17(19)20-15-11-7-5-3-1-2-4-6-8-12-16-13-9-10-14-16/h9-10,13-14H,1-8,11-12,15H2,(H3,18,19)
InChIKeyPXLLRWZPEYWFGL-UHFFFAOYSA-N
MW293.50 g/mol
LogP4.92
Rot. Bonds12

About CID 11785227

CID 11785227 (PubChem CID 11785227) has the molecular formula C17H29N2S and a molecular weight of 293.50 g/mol.

Molecular Properties

Compound NameCID 11785227
PubChem CID11785227
Molecular FormulaC17H29N2S
Molecular Weight293.50 g/mol
Exact Mass293.21
IUPAC Name—
SMILES[H]/N=C(\N)SCCCCCCCCCCC[C]1[CH][CH][CH][CH]1
InChIInChI=1S/C17H29N2S/c18-17(19)20-15-11-7-5-3-1-2-4-6-8-12-16-13-9-10-14-16/h9-10,13-14H,1-8,11-12,15H2,(H3,18,19)
InChIKeyPXLLRWZPEYWFGL-UHFFFAOYSA-N
XLogP4.92
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 11785227?
The IUPAC name of CID 11785227 (CID 11785227) is not available.
What is the SMILES notation for CID 11785227?
The canonical SMILES for CID 11785227 is [H]/N=C(\N)SCCCCCCCCCCC[C]1[CH][CH][CH][CH]1.
What is the InChIKey of CID 11785227?
The InChIKey is PXLLRWZPEYWFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N2S/c18-17(19)20-15-11-7-5-3-1-2-4-6-8-12-16-13-9-10-14-16/h9-10,13-14H,1-8,11-12,15H2,(H3,18,19).
What are the key properties of CID 11785227?
CID 11785227 has a molecular weight of 293.50 g/mol, XLogP of 4.92, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11785227 is sourced from PubChem (CID 11785227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).