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

C8H14N2O3S2 — CID 103414895

IUPACN-(2-hydroxybutyl)-2-methyl-1,3-thiazole-5-sulfonamide
SMILESCCC(O)CNS(=O)(=O)c1cnc(C)s1
InChIInChI=1S/C8H14N2O3S2/c1-3-7(11)4-10-15(12,13)8-5-9-6(2)14-8/h5,7,10-11H,3-4H2,1-2H3
InChIKeyVOPJKKNCHKTZQM-UHFFFAOYSA-N
MW250.34 g/mol
LogP0.50
Rot. Bonds5

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

N-(2-hydroxybutyl)-2-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 103414895) has the molecular formula C8H14N2O3S2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-(2-hydroxybutyl)-2-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxybutyl)-2-methyl-1,3-thiazole-5-sulfonamide
PubChem CID103414895
Molecular FormulaC8H14N2O3S2
Molecular Weight250.34 g/mol
Exact Mass250.04
IUPAC NameN-(2-hydroxybutyl)-2-methyl-1,3-thiazole-5-sulfonamide
SMILESCCC(O)CNS(=O)(=O)c1cnc(C)s1
InChIInChI=1S/C8H14N2O3S2/c1-3-7(11)4-10-15(12,13)8-5-9-6(2)14-8/h5,7,10-11H,3-4H2,1-2H3
InChIKeyVOPJKKNCHKTZQM-UHFFFAOYSA-N
XLogP0.50
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-hydroxypentyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103847995
N-(2-bromo-3-ethylpentyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 114168907
N-(2-bromopropyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103416040
N-(2,2-dimethoxyethyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103414719
N-[(2R)-2-(ethylamino)propyl]-2-methyl-1,3-thiazole-5-sulfonamide;hydrochloride
CID 120664525
N-[2-(2-hydroxyethyl)pentyl]-2-methyl-1,3-thiazole-5-sulfonamide
CID 103847971
N-(2-bromo-3-methylbutyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103416146
N-(2-hydroxyethyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103847901
4-methyl-2-[[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]methyl]pentanoic acid
CID 103414340
N-[2-(2-chloroethyl)pentyl]-2-methyl-1,3-thiazole-5-sulfonamide
CID 114145871
N-(2-hydroxy-2-methylbutyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103847938
3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]propanoic acid
CID 103862594

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxybutyl)-2-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-(2-hydroxybutyl)-2-methyl-1,3-thiazole-5-sulfonamide (CID 103414895) is N-(2-hydroxybutyl)-2-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-(2-hydroxybutyl)-2-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-(2-hydroxybutyl)-2-methyl-1,3-thiazole-5-sulfonamide is CCC(O)CNS(=O)(=O)c1cnc(C)s1.
What is the InChIKey of N-(2-hydroxybutyl)-2-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is VOPJKKNCHKTZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3S2/c1-3-7(11)4-10-15(12,13)8-5-9-6(2)14-8/h5,7,10-11H,3-4H2,1-2H3.
What are the key properties of N-(2-hydroxybutyl)-2-methyl-1,3-thiazole-5-sulfonamide?
N-(2-hydroxybutyl)-2-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 250.34 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxybutyl)-2-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 103414895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).