2-(6-hydroxyhexyl)-1,3-thiazole-5-sulfonamide

C9H16N2O3S2 — CID 67807083

IUPAC2-(6-hydroxyhexyl)-1,3-thiazole-5-sulfonamide
SMILESNS(=O)(=O)c1cnc(CCCCCCO)s1
InChIInChI=1S/C9H16N2O3S2/c10-16(13,14)9-7-11-8(15-9)5-3-1-2-4-6-12/h7,12H,1-6H2,(H2,10,13,14)
InChIKeyGKMHCURLLWBXRR-UHFFFAOYSA-N
MW264.37 g/mol
LogP0.89
Rot. Bonds7

About 2-(6-hydroxyhexyl)-1,3-thiazole-5-sulfonamide

2-(6-hydroxyhexyl)-1,3-thiazole-5-sulfonamide (PubChem CID 67807083) has the molecular formula C9H16N2O3S2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-(6-hydroxyhexyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-(6-hydroxyhexyl)-1,3-thiazole-5-sulfonamide
PubChem CID67807083
Molecular FormulaC9H16N2O3S2
Molecular Weight264.37 g/mol
Exact Mass264.06
IUPAC Name2-(6-hydroxyhexyl)-1,3-thiazole-5-sulfonamide
SMILESNS(=O)(=O)c1cnc(CCCCCCO)s1
InChIInChI=1S/C9H16N2O3S2/c10-16(13,14)9-7-11-8(15-9)5-3-1-2-4-6-12/h7,12H,1-6H2,(H2,10,13,14)
InChIKeyGKMHCURLLWBXRR-UHFFFAOYSA-N
XLogP0.89
TPSA93.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 50.89
H-Bond Donors ≤ 52
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 2-(6-hydroxyhexyl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-(6-hydroxyhexyl)-1,3-thiazole-5-sulfonamide (CID 67807083) is 2-(6-hydroxyhexyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-(6-hydroxyhexyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-(6-hydroxyhexyl)-1,3-thiazole-5-sulfonamide is NS(=O)(=O)c1cnc(CCCCCCO)s1.
What is the InChIKey of 2-(6-hydroxyhexyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is GKMHCURLLWBXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3S2/c10-16(13,14)9-7-11-8(15-9)5-3-1-2-4-6-12/h7,12H,1-6H2,(H2,10,13,14).
What are the key properties of 2-(6-hydroxyhexyl)-1,3-thiazole-5-sulfonamide?
2-(6-hydroxyhexyl)-1,3-thiazole-5-sulfonamide has a molecular weight of 264.37 g/mol, XLogP of 0.89, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-hydroxyhexyl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 67807083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).