N-(1-cyanobutan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide

C9H13N3O2S2 — CID 104694078

IUPACN-(1-cyanobutan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide
SMILESCCC(CC#N)NS(=O)(=O)c1cnc(C)s1
InChIInChI=1S/C9H13N3O2S2/c1-3-8(4-5-10)12-16(13,14)9-6-11-7(2)15-9/h6,8,12H,3-4H2,1-2H3
InChIKeyHDNQAGRSVGCALK-UHFFFAOYSA-N
MW259.36 g/mol
LogP1.42
Rot. Bonds5

About N-(1-cyanobutan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide

N-(1-cyanobutan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 104694078) has the molecular formula C9H13N3O2S2 and a molecular weight of 259.36 g/mol. Its IUPAC name is N-(1-cyanobutan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(1-cyanobutan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide
PubChem CID104694078
Molecular FormulaC9H13N3O2S2
Molecular Weight259.36 g/mol
Exact Mass259.04
IUPAC NameN-(1-cyanobutan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide
SMILESCCC(CC#N)NS(=O)(=O)c1cnc(C)s1
InChIInChI=1S/C9H13N3O2S2/c1-3-8(4-5-10)12-16(13,14)9-6-11-7(2)15-9/h6,8,12H,3-4H2,1-2H3
InChIKeyHDNQAGRSVGCALK-UHFFFAOYSA-N
XLogP1.42
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-bromobutan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103416070
N-(1-bromopentan-3-yl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103416148
N'-hydroxy-3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]pentanimidamide
CID 103415690
N-(1-bromopropan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103416028
N-(4-bromo-1-methoxybutan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 106158450
N-(2-hydroxybutyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103414895
N-(4-ethyl-1H-pyrazol-5-yl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103414971
N-(1-cyanobutan-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 62645833
4-(1-cyanobutan-2-ylsulfamoyl)-5-methylthiophene-2-carboxylic acid
CID 63328576
N-(1-cyanobutan-2-yl)-3-methylbenzenesulfonamide
CID 62647600
N-(2-bromo-3-ethylpentyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 114168907
N-(3-hydroxypentyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103847995

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanobutan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-(1-cyanobutan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide (CID 104694078) is N-(1-cyanobutan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-(1-cyanobutan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-(1-cyanobutan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide is CCC(CC#N)NS(=O)(=O)c1cnc(C)s1.
What is the InChIKey of N-(1-cyanobutan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is HDNQAGRSVGCALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S2/c1-3-8(4-5-10)12-16(13,14)9-6-11-7(2)15-9/h6,8,12H,3-4H2,1-2H3.
What are the key properties of N-(1-cyanobutan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide?
N-(1-cyanobutan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 259.36 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanobutan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 104694078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).