N,N,1-trimethylimidazole-4-sulfonamide

C6H11N3O2S — CID 47002931

IUPACN,N,1-trimethylimidazole-4-sulfonamide
SMILESCN(C)S(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C6H11N3O2S/c1-8(2)12(10,11)6-4-9(3)5-7-6/h4-5H,1-3H3
InChIKeyJBBRVIUJDKONPD-UHFFFAOYSA-N
MW189.24 g/mol
LogP-0.33
Rot. Bonds2

About N,N,1-trimethylimidazole-4-sulfonamide

N,N,1-trimethylimidazole-4-sulfonamide (PubChem CID 47002931) has the molecular formula C6H11N3O2S and a molecular weight of 189.24 g/mol. Its IUPAC name is N,N,1-trimethylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN,N,1-trimethylimidazole-4-sulfonamide
PubChem CID47002931
Molecular FormulaC6H11N3O2S
Molecular Weight189.24 g/mol
Exact Mass189.06
IUPAC NameN,N,1-trimethylimidazole-4-sulfonamide
SMILESCN(C)S(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C6H11N3O2S/c1-8(2)12(10,11)6-4-9(3)5-7-6/h4-5H,1-3H3
InChIKeyJBBRVIUJDKONPD-UHFFFAOYSA-N
XLogP-0.33
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 5-0.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Ethyl-3-methylimidazolium methanesulfonate
CID 16211849
1-methyl-1H-imidazole-4-sulfonamide
CID 2736885
1H-Imidazole-4-sulfonamide, 1-(1-methylethyl)-
CID 71757215
1,2-Dimethylimidazole-4-sulfonyl chloride
CID 2736256
1-methyl-1H-imidazole-4-sulfonyl chloride
CID 2736887
4-((1,2-dimethyl-1H-imidazol-4-yl)sulfonyl)thiomorpholine
CID 72024489
1,3-Dimethylimidazolium methanesulfonate
CID 11412872
1-Methyl-1H-imidazole-2-sulfonyl chloride
CID 11658383
1-Methyl-2-methylsulfonylimidazole
CID 333160
1,2-dimethyl-1H-imidazole-5-sulfonyl chloride
CID 2736258
1-methyl-1H-imidazole-5-sulfonyl chloride
CID 2736888
1,2-dimethyl-1H-imidazole-4-sulfonamide
CID 2758563

Frequently Asked Questions

What is the IUPAC name of N,N,1-trimethylimidazole-4-sulfonamide?
The IUPAC name of N,N,1-trimethylimidazole-4-sulfonamide (CID 47002931) is N,N,1-trimethylimidazole-4-sulfonamide.
What is the SMILES notation for N,N,1-trimethylimidazole-4-sulfonamide?
The canonical SMILES for N,N,1-trimethylimidazole-4-sulfonamide is CN(C)S(=O)(=O)c1cn(C)cn1.
What is the InChIKey of N,N,1-trimethylimidazole-4-sulfonamide?
The InChIKey is JBBRVIUJDKONPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2S/c1-8(2)12(10,11)6-4-9(3)5-7-6/h4-5H,1-3H3.
What are the key properties of N,N,1-trimethylimidazole-4-sulfonamide?
N,N,1-trimethylimidazole-4-sulfonamide has a molecular weight of 189.24 g/mol, XLogP of -0.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,1-trimethylimidazole-4-sulfonamide is sourced from PubChem (CID 47002931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).