1-methyl-4-pyrrolidin-1-ylsulfonylimidazole

C8H13N3O2S — CID 20958597

IUPAC1-methyl-4-pyrrolidin-1-ylsulfonylimidazole
SMILESCn1cnc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C8H13N3O2S/c1-10-6-8(9-7-10)14(12,13)11-4-2-3-5-11/h6-7H,2-5H2,1H3
InChIKeyDBVRNKDYQVYAAT-UHFFFAOYSA-N
MW215.28 g/mol
LogP0.20
Rot. Bonds2

About 1-methyl-4-pyrrolidin-1-ylsulfonylimidazole

1-methyl-4-pyrrolidin-1-ylsulfonylimidazole (PubChem CID 20958597) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is 1-methyl-4-pyrrolidin-1-ylsulfonylimidazole.

Molecular Properties

Compound Name1-methyl-4-pyrrolidin-1-ylsulfonylimidazole
PubChem CID20958597
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC Name1-methyl-4-pyrrolidin-1-ylsulfonylimidazole
SMILESCn1cnc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C8H13N3O2S/c1-10-6-8(9-7-10)14(12,13)11-4-2-3-5-11/h6-7H,2-5H2,1H3
InChIKeyDBVRNKDYQVYAAT-UHFFFAOYSA-N
XLogP0.20
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
5H-Pyrrolo(1,2-a)imidazole, 6,7-dihydro-2-(methylsulfonyl)-
CID 3080455
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
1-methyl-1H-imidazole-5-sulfonamide
CID 18971486
5H,6H,7H-pyrrolo[1,2-a]imidazole-3-sulfonyl chloride
CID 44119806
N,N,1-trimethyl-1H-imidazole-4-sulfonamide
CID 47002931
5H,6H,7H-pyrrolo[1,2-a]imidazole-2-sulfonyl chloride
CID 122480749

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-pyrrolidin-1-ylsulfonylimidazole?
The IUPAC name of 1-methyl-4-pyrrolidin-1-ylsulfonylimidazole (CID 20958597) is 1-methyl-4-pyrrolidin-1-ylsulfonylimidazole.
What is the SMILES notation for 1-methyl-4-pyrrolidin-1-ylsulfonylimidazole?
The canonical SMILES for 1-methyl-4-pyrrolidin-1-ylsulfonylimidazole is Cn1cnc(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of 1-methyl-4-pyrrolidin-1-ylsulfonylimidazole?
The InChIKey is DBVRNKDYQVYAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-10-6-8(9-7-10)14(12,13)11-4-2-3-5-11/h6-7H,2-5H2,1H3.
What are the key properties of 1-methyl-4-pyrrolidin-1-ylsulfonylimidazole?
1-methyl-4-pyrrolidin-1-ylsulfonylimidazole has a molecular weight of 215.28 g/mol, XLogP of 0.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-pyrrolidin-1-ylsulfonylimidazole is sourced from PubChem (CID 20958597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).