CID 165091142

C14H28N4OS3 — CID 165091142

IUPAC—
SMILESCSCCC(C#N)NC(C#N)CCSC.CSCCC=O.[2H]N
InChIInChI=1S/C10H17N3S2.C4H8OS.H3N/c1-14-5-3-9(7-11)13-10(8-12)4-6-15-2;1-6-4-2-3-5;/h9-10,13H,3-6H2,1-2H3;3H,2,4H2,1H3;1H3/i/hD
InChIKeyWSNPISQBDMBLEL-DYCDLGHISA-N
MW365.61 g/mol
LogP2.97
Rot. Bonds11

About CID 165091142

CID 165091142 (PubChem CID 165091142) has the molecular formula C14H28N4OS3 and a molecular weight of 365.61 g/mol.

Molecular Properties

Compound NameCID 165091142
PubChem CID165091142
Molecular FormulaC14H28N4OS3
Molecular Weight365.61 g/mol
Exact Mass365.15
IUPAC Name—
SMILESCSCCC(C#N)NC(C#N)CCSC.CSCCC=O.[2H]N
InChIInChI=1S/C10H17N3S2.C4H8OS.H3N/c1-14-5-3-9(7-11)13-10(8-12)4-6-15-2;1-6-4-2-3-5;/h9-10,13H,3-6H2,1-2H3;3H,2,4H2,1H3;1H3/i/hD
InChIKeyWSNPISQBDMBLEL-DYCDLGHISA-N
XLogP2.97
TPSA111.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.61
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 165091142?
The IUPAC name of CID 165091142 (CID 165091142) is not available.
What is the SMILES notation for CID 165091142?
The canonical SMILES for CID 165091142 is CSCCC(C#N)NC(C#N)CCSC.CSCCC=O.[2H]N.
What is the InChIKey of CID 165091142?
The InChIKey is WSNPISQBDMBLEL-DYCDLGHISA-N. The full InChI is InChI=1S/C10H17N3S2.C4H8OS.H3N/c1-14-5-3-9(7-11)13-10(8-12)4-6-15-2;1-6-4-2-3-5;/h9-10,13H,3-6H2,1-2H3;3H,2,4H2,1H3;1H3/i/hD.
What are the key properties of CID 165091142?
CID 165091142 has a molecular weight of 365.61 g/mol, XLogP of 2.97, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 165091142 is sourced from PubChem (CID 165091142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).