CID 59866904

C11H22N3O2S — CID 59866904

IUPAC—
SMILESCCN(C)CCCNC(=O)CSC[CH]C(N)=O
InChIInChI=1S/C11H22N3O2S/c1-3-14(2)7-4-6-13-11(16)9-17-8-5-10(12)15/h5H,3-4,6-9H2,1-2H3,(H2,12,15)(H,13,16)
InChIKeyPVRLCEHTUHVHIJ-UHFFFAOYSA-N
MW260.38 g/mol
LogP-0.13
Rot. Bonds10

About CID 59866904

CID 59866904 (PubChem CID 59866904) has the molecular formula C11H22N3O2S and a molecular weight of 260.38 g/mol.

Molecular Properties

Compound NameCID 59866904
PubChem CID59866904
Molecular FormulaC11H22N3O2S
Molecular Weight260.38 g/mol
Exact Mass260.14
IUPAC Name—
SMILESCCN(C)CCCNC(=O)CSC[CH]C(N)=O
InChIInChI=1S/C11H22N3O2S/c1-3-14(2)7-4-6-13-11(16)9-17-8-5-10(12)15/h5H,3-4,6-9H2,1-2H3,(H2,12,15)(H,13,16)
InChIKeyPVRLCEHTUHVHIJ-UHFFFAOYSA-N
XLogP-0.13
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 59866904?
The IUPAC name of CID 59866904 (CID 59866904) is not available.
What is the SMILES notation for CID 59866904?
The canonical SMILES for CID 59866904 is CCN(C)CCCNC(=O)CSC[CH]C(N)=O.
What is the InChIKey of CID 59866904?
The InChIKey is PVRLCEHTUHVHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N3O2S/c1-3-14(2)7-4-6-13-11(16)9-17-8-5-10(12)15/h5H,3-4,6-9H2,1-2H3,(H2,12,15)(H,13,16).
What are the key properties of CID 59866904?
CID 59866904 has a molecular weight of 260.38 g/mol, XLogP of -0.13, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59866904 is sourced from PubChem (CID 59866904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).