N-(1,3-thiazol-2-yl)hexane-3-sulfonamide

C9H16N2O2S2 — CID 123145428

IUPACN-(1,3-thiazol-2-yl)hexane-3-sulfonamide
SMILESCCCC(CC)S(=O)(=O)Nc1nccs1
InChIInChI=1S/C9H16N2O2S2/c1-3-5-8(4-2)15(12,13)11-9-10-6-7-14-9/h6-8H,3-5H2,1-2H3,(H,10,11)
InChIKeyHAUSOZWQGMZUGR-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.46
Rot. Bonds6

About N-(1,3-thiazol-2-yl)hexane-3-sulfonamide

N-(1,3-thiazol-2-yl)hexane-3-sulfonamide (PubChem CID 123145428) has the molecular formula C9H16N2O2S2 and a molecular weight of 248.37 g/mol. Its IUPAC name is N-(1,3-thiazol-2-yl)hexane-3-sulfonamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-yl)hexane-3-sulfonamide
PubChem CID123145428
Molecular FormulaC9H16N2O2S2
Molecular Weight248.37 g/mol
Exact Mass248.07
IUPAC NameN-(1,3-thiazol-2-yl)hexane-3-sulfonamide
SMILESCCCC(CC)S(=O)(=O)Nc1nccs1
InChIInChI=1S/C9H16N2O2S2/c1-3-5-8(4-2)15(12,13)11-9-10-6-7-14-9/h6-8H,3-5H2,1-2H3,(H,10,11)
InChIKeyHAUSOZWQGMZUGR-UHFFFAOYSA-N
XLogP2.46
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

n-butyl-N-2-thiazolylsulfonamide
CID 9117500
1,3-Thiazol-2-ylsulfamic acid
CID 231063
2-(Sulfinatoamino)-1,3-thiazole
CID 57139139
1-fluoro-N-(1,3-thiazol-2-yl)methanesulfonamide
CID 88366557
5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)hexa-2,4-diene-3-sulfonamide
CID 123940985
1,1,1-trifluoro-N-(1,3-thiazol-2-yl)methanesulfonamide
CID 154088017
2-Thiazolylaminodiisopropylborane
CID 12663619
3-[Methyl(1,3-thiazol-2-yl)sulfamoyl]propane-1-sulfonyl fluoride
CID 99792847
11-Dioxo-N-(13-thiazol-2-YL)-1lambda6-thiolane-3-sulfonamide
CID 16958018
N-(1,3-thiazol-2-yl)methanesulfonamide
CID 3532089
2-Amino-5-methylsulfonylthiazole
CID 14931789
2-amino-N-(1,3-thiazol-2-yl)ethanesulfonamide
CID 16784506

Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-yl)hexane-3-sulfonamide?
The IUPAC name of N-(1,3-thiazol-2-yl)hexane-3-sulfonamide (CID 123145428) is N-(1,3-thiazol-2-yl)hexane-3-sulfonamide.
What is the SMILES notation for N-(1,3-thiazol-2-yl)hexane-3-sulfonamide?
The canonical SMILES for N-(1,3-thiazol-2-yl)hexane-3-sulfonamide is CCCC(CC)S(=O)(=O)Nc1nccs1.
What is the InChIKey of N-(1,3-thiazol-2-yl)hexane-3-sulfonamide?
The InChIKey is HAUSOZWQGMZUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S2/c1-3-5-8(4-2)15(12,13)11-9-10-6-7-14-9/h6-8H,3-5H2,1-2H3,(H,10,11).
What are the key properties of N-(1,3-thiazol-2-yl)hexane-3-sulfonamide?
N-(1,3-thiazol-2-yl)hexane-3-sulfonamide has a molecular weight of 248.37 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-yl)hexane-3-sulfonamide is sourced from PubChem (CID 123145428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).