5-[(2-ethyl-1,3-thiazol-4-yl)methylsulfonyl]pentan-1-ol

C11H19NO3S2 — CID 111104868

IUPAC5-[(2-ethyl-1,3-thiazol-4-yl)methylsulfonyl]pentan-1-ol
SMILESCCc1nc(CS(=O)(=O)CCCCCO)cs1
InChIInChI=1S/C11H19NO3S2/c1-2-11-12-10(8-16-11)9-17(14,15)7-5-3-4-6-13/h8,13H,2-7,9H2,1H3
InChIKeyHKKHFNYZERIRJU-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.78
Rot. Bonds8

About 5-[(2-ethyl-1,3-thiazol-4-yl)methylsulfonyl]pentan-1-ol

5-[(2-ethyl-1,3-thiazol-4-yl)methylsulfonyl]pentan-1-ol (PubChem CID 111104868) has the molecular formula C11H19NO3S2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 5-[(2-ethyl-1,3-thiazol-4-yl)methylsulfonyl]pentan-1-ol.

Molecular Properties

Compound Name5-[(2-ethyl-1,3-thiazol-4-yl)methylsulfonyl]pentan-1-ol
PubChem CID111104868
Molecular FormulaC11H19NO3S2
Molecular Weight277.41 g/mol
Exact Mass277.08
IUPAC Name5-[(2-ethyl-1,3-thiazol-4-yl)methylsulfonyl]pentan-1-ol
SMILESCCc1nc(CS(=O)(=O)CCCCCO)cs1
InChIInChI=1S/C11H19NO3S2/c1-2-11-12-10(8-16-11)9-17(14,15)7-5-3-4-6-13/h8,13H,2-7,9H2,1H3
InChIKeyHKKHFNYZERIRJU-UHFFFAOYSA-N
XLogP1.78
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 5-[(2-ethyl-1,3-thiazol-4-yl)methylsulfonyl]pentan-1-ol?
The IUPAC name of 5-[(2-ethyl-1,3-thiazol-4-yl)methylsulfonyl]pentan-1-ol (CID 111104868) is 5-[(2-ethyl-1,3-thiazol-4-yl)methylsulfonyl]pentan-1-ol.
What is the SMILES notation for 5-[(2-ethyl-1,3-thiazol-4-yl)methylsulfonyl]pentan-1-ol?
The canonical SMILES for 5-[(2-ethyl-1,3-thiazol-4-yl)methylsulfonyl]pentan-1-ol is CCc1nc(CS(=O)(=O)CCCCCO)cs1.
What is the InChIKey of 5-[(2-ethyl-1,3-thiazol-4-yl)methylsulfonyl]pentan-1-ol?
The InChIKey is HKKHFNYZERIRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3S2/c1-2-11-12-10(8-16-11)9-17(14,15)7-5-3-4-6-13/h8,13H,2-7,9H2,1H3.
What are the key properties of 5-[(2-ethyl-1,3-thiazol-4-yl)methylsulfonyl]pentan-1-ol?
5-[(2-ethyl-1,3-thiazol-4-yl)methylsulfonyl]pentan-1-ol has a molecular weight of 277.41 g/mol, XLogP of 1.78, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethyl-1,3-thiazol-4-yl)methylsulfonyl]pentan-1-ol is sourced from PubChem (CID 111104868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).