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

C8H14N2O4S2 — CID 103414719

IUPACN-(2,2-dimethoxyethyl)-2-methyl-1,3-thiazole-5-sulfonamide
SMILESCOC(CNS(=O)(=O)c1cnc(C)s1)OC
InChIInChI=1S/C8H14N2O4S2/c1-6-9-5-8(15-6)16(11,12)10-4-7(13-2)14-3/h5,7,10H,4H2,1-3H3
InChIKeyWBQOJTKXBKVQLZ-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.35
Rot. Bonds6

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

N-(2,2-dimethoxyethyl)-2-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 103414719) has the molecular formula C8H14N2O4S2 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-2-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-2-methyl-1,3-thiazole-5-sulfonamide
PubChem CID103414719
Molecular FormulaC8H14N2O4S2
Molecular Weight266.34 g/mol
Exact Mass266.04
IUPAC NameN-(2,2-dimethoxyethyl)-2-methyl-1,3-thiazole-5-sulfonamide
SMILESCOC(CNS(=O)(=O)c1cnc(C)s1)OC
InChIInChI=1S/C8H14N2O4S2/c1-6-9-5-8(15-6)16(11,12)10-4-7(13-2)14-3/h5,7,10H,4H2,1-3H3
InChIKeyWBQOJTKXBKVQLZ-UHFFFAOYSA-N
XLogP0.35
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromopropyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103416040
N-(2-bromo-3-methylbutyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103416146
N-(2-hydroxybutyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103414895
N-[(2R)-2-(ethylamino)propyl]-2-methyl-1,3-thiazole-5-sulfonamide;hydrochloride
CID 120664525
N-(2-bromo-3-ethylpentyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 114168907
4-methyl-2-[[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]methyl]pentanoic acid
CID 103414340
N-(2-hydroxyethyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103847901
N-[2-(2-chloroethyl)pentyl]-2-methyl-1,3-thiazole-5-sulfonamide
CID 114145871
N-[2-(2-hydroxyethyl)pentyl]-2-methyl-1,3-thiazole-5-sulfonamide
CID 103847971
N-(3-chlorobutyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103415939
2-chloro-N-(2-methoxypropyl)-1,3-thiazole-5-sulfonamide
CID 102697806
N-[(E)-4-aminobut-2-enyl]-2-methyl-1,3-thiazole-5-sulfonamide
CID 103415343

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-2-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-(2,2-dimethoxyethyl)-2-methyl-1,3-thiazole-5-sulfonamide (CID 103414719) is N-(2,2-dimethoxyethyl)-2-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-2-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)-2-methyl-1,3-thiazole-5-sulfonamide is COC(CNS(=O)(=O)c1cnc(C)s1)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-2-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is WBQOJTKXBKVQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O4S2/c1-6-9-5-8(15-6)16(11,12)10-4-7(13-2)14-3/h5,7,10H,4H2,1-3H3.
What are the key properties of N-(2,2-dimethoxyethyl)-2-methyl-1,3-thiazole-5-sulfonamide?
N-(2,2-dimethoxyethyl)-2-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 266.34 g/mol, XLogP of 0.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-2-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 103414719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).