1-(thiadiazol-4-yl)nonan-1-ol

C11H20N2OS — CID 105085762

IUPAC1-(thiadiazol-4-yl)nonan-1-ol
SMILESCCCCCCCCC(O)c1csnn1
InChIInChI=1S/C11H20N2OS/c1-2-3-4-5-6-7-8-11(14)10-9-15-13-12-10/h9,11,14H,2-8H2,1H3
InChIKeyHIYXTTGWLDSOAN-UHFFFAOYSA-N
MW228.36 g/mol
LogP3.32
Rot. Bonds8

About 1-(thiadiazol-4-yl)nonan-1-ol

1-(thiadiazol-4-yl)nonan-1-ol (PubChem CID 105085762) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 1-(thiadiazol-4-yl)nonan-1-ol.

Molecular Properties

Compound Name1-(thiadiazol-4-yl)nonan-1-ol
PubChem CID105085762
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name1-(thiadiazol-4-yl)nonan-1-ol
SMILESCCCCCCCCC(O)c1csnn1
InChIInChI=1S/C11H20N2OS/c1-2-3-4-5-6-7-8-11(14)10-9-15-13-12-10/h9,11,14H,2-8H2,1H3
InChIKeyHIYXTTGWLDSOAN-UHFFFAOYSA-N
XLogP3.32
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 53.32
H-Bond Donors ≤ 51
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 1-(thiadiazol-4-yl)nonan-1-ol?
The IUPAC name of 1-(thiadiazol-4-yl)nonan-1-ol (CID 105085762) is 1-(thiadiazol-4-yl)nonan-1-ol.
What is the SMILES notation for 1-(thiadiazol-4-yl)nonan-1-ol?
The canonical SMILES for 1-(thiadiazol-4-yl)nonan-1-ol is CCCCCCCCC(O)c1csnn1.
What is the InChIKey of 1-(thiadiazol-4-yl)nonan-1-ol?
The InChIKey is HIYXTTGWLDSOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-2-3-4-5-6-7-8-11(14)10-9-15-13-12-10/h9,11,14H,2-8H2,1H3.
What are the key properties of 1-(thiadiazol-4-yl)nonan-1-ol?
1-(thiadiazol-4-yl)nonan-1-ol has a molecular weight of 228.36 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiadiazol-4-yl)nonan-1-ol is sourced from PubChem (CID 105085762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).