1-methyl-5-(methylaminomethyl)-N-[(1-methylimidazol-2-yl)methyl]pyrrole-3-sulfonamide

C12H19N5O2S — CID 106062551

IUPAC1-methyl-5-(methylaminomethyl)-N-[(1-methylimidazol-2-yl)methyl]pyrrole-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NCc2nccn2C)cn1C
InChIInChI=1S/C12H19N5O2S/c1-13-7-10-6-11(9-17(10)3)20(18,19)15-8-12-14-4-5-16(12)2/h4-6,9,13,15H,7-8H2,1-3H3
InChIKeyLIRHXEKIMNYOME-UHFFFAOYSA-N
MW297.38 g/mol
LogP-0.04
Rot. Bonds6

About 1-methyl-5-(methylaminomethyl)-N-[(1-methylimidazol-2-yl)methyl]pyrrole-3-sulfonamide

1-methyl-5-(methylaminomethyl)-N-[(1-methylimidazol-2-yl)methyl]pyrrole-3-sulfonamide (PubChem CID 106062551) has the molecular formula C12H19N5O2S and a molecular weight of 297.38 g/mol. Its IUPAC name is 1-methyl-5-(methylaminomethyl)-N-[(1-methylimidazol-2-yl)methyl]pyrrole-3-sulfonamide.

Molecular Properties

Compound Name1-methyl-5-(methylaminomethyl)-N-[(1-methylimidazol-2-yl)methyl]pyrrole-3-sulfonamide
PubChem CID106062551
Molecular FormulaC12H19N5O2S
Molecular Weight297.38 g/mol
Exact Mass297.13
IUPAC Name1-methyl-5-(methylaminomethyl)-N-[(1-methylimidazol-2-yl)methyl]pyrrole-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NCc2nccn2C)cn1C
InChIInChI=1S/C12H19N5O2S/c1-13-7-10-6-11(9-17(10)3)20(18,19)15-8-12-14-4-5-16(12)2/h4-6,9,13,15H,7-8H2,1-3H3
InChIKeyLIRHXEKIMNYOME-UHFFFAOYSA-N
XLogP-0.04
TPSA80.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 110440947
4-[2-(methylamino)ethyl]-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 106062575
5-chloro-6-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-sulfonamide
CID 64601125
1-methyl-5-(methylaminomethyl)-N-(2-methylsulfanylethyl)pyrrole-3-sulfonamide
CID 106063695
2,4,6-trimethyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 110446025
2,6-dimethyl-4-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 107328926
6-hydrazinyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-sulfonamide
CID 55171581
6-(ethylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-sulfonamide
CID 63296118
3-fluoro-N-[(1-methylimidazol-2-yl)methyl]-4-nitrobenzenesulfonamide
CID 82847129
1-methyl-5-(methylaminomethyl)-N-(1-pyridin-2-ylethyl)pyrrole-3-sulfonamide
CID 106022878
5-bromo-2-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-sulfonamide
CID 63295582
1-methyl-5-(methylaminomethyl)-N-(2-methylpentan-3-yl)pyrrole-3-sulfonamide
CID 106018909

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(methylaminomethyl)-N-[(1-methylimidazol-2-yl)methyl]pyrrole-3-sulfonamide?
The IUPAC name of 1-methyl-5-(methylaminomethyl)-N-[(1-methylimidazol-2-yl)methyl]pyrrole-3-sulfonamide (CID 106062551) is 1-methyl-5-(methylaminomethyl)-N-[(1-methylimidazol-2-yl)methyl]pyrrole-3-sulfonamide.
What is the SMILES notation for 1-methyl-5-(methylaminomethyl)-N-[(1-methylimidazol-2-yl)methyl]pyrrole-3-sulfonamide?
The canonical SMILES for 1-methyl-5-(methylaminomethyl)-N-[(1-methylimidazol-2-yl)methyl]pyrrole-3-sulfonamide is CNCc1cc(S(=O)(=O)NCc2nccn2C)cn1C.
What is the InChIKey of 1-methyl-5-(methylaminomethyl)-N-[(1-methylimidazol-2-yl)methyl]pyrrole-3-sulfonamide?
The InChIKey is LIRHXEKIMNYOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2S/c1-13-7-10-6-11(9-17(10)3)20(18,19)15-8-12-14-4-5-16(12)2/h4-6,9,13,15H,7-8H2,1-3H3.
What are the key properties of 1-methyl-5-(methylaminomethyl)-N-[(1-methylimidazol-2-yl)methyl]pyrrole-3-sulfonamide?
1-methyl-5-(methylaminomethyl)-N-[(1-methylimidazol-2-yl)methyl]pyrrole-3-sulfonamide has a molecular weight of 297.38 g/mol, XLogP of -0.04, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(methylaminomethyl)-N-[(1-methylimidazol-2-yl)methyl]pyrrole-3-sulfonamide is sourced from PubChem (CID 106062551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).