1-ethyl-N-(1-methoxy-2-methylpropan-2-yl)-5-(methylaminomethyl)pyrrole-3-sulfonamide

C13H25N3O3S — CID 106080742

IUPAC1-ethyl-N-(1-methoxy-2-methylpropan-2-yl)-5-(methylaminomethyl)pyrrole-3-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC(C)(C)COC)cc1CNC
InChIInChI=1S/C13H25N3O3S/c1-6-16-9-12(7-11(16)8-14-4)20(17,18)15-13(2,3)10-19-5/h7,9,14-15H,6,8,10H2,1-5H3
InChIKeyNSNCQTHLIZTZNS-UHFFFAOYSA-N
MW303.43 g/mol
LogP0.93
Rot. Bonds8

About 1-ethyl-N-(1-methoxy-2-methylpropan-2-yl)-5-(methylaminomethyl)pyrrole-3-sulfonamide

1-ethyl-N-(1-methoxy-2-methylpropan-2-yl)-5-(methylaminomethyl)pyrrole-3-sulfonamide (PubChem CID 106080742) has the molecular formula C13H25N3O3S and a molecular weight of 303.43 g/mol. Its IUPAC name is 1-ethyl-N-(1-methoxy-2-methylpropan-2-yl)-5-(methylaminomethyl)pyrrole-3-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-(1-methoxy-2-methylpropan-2-yl)-5-(methylaminomethyl)pyrrole-3-sulfonamide
PubChem CID106080742
Molecular FormulaC13H25N3O3S
Molecular Weight303.43 g/mol
Exact Mass303.16
IUPAC Name1-ethyl-N-(1-methoxy-2-methylpropan-2-yl)-5-(methylaminomethyl)pyrrole-3-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC(C)(C)COC)cc1CNC
InChIInChI=1S/C13H25N3O3S/c1-6-16-9-12(7-11(16)8-14-4)20(17,18)15-13(2,3)10-19-5/h7,9,14-15H,6,8,10H2,1-5H3
InChIKeyNSNCQTHLIZTZNS-UHFFFAOYSA-N
XLogP0.93
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-5-(methylaminomethyl)-N-(2-methylbutan-2-yl)pyrrole-3-sulfonamide
CID 106031575
1-ethyl-N-(2-methylbutan-2-yl)-5-(propylaminomethyl)pyrrole-3-sulfonamide
CID 106031460
1-ethyl-5-(methylaminomethyl)-N-piperidin-1-ylpyrrole-3-sulfonamide
CID 106075400
1-ethyl-5-(methylaminomethyl)-N-(1-methylcyclopropyl)pyrrole-3-sulfonamide
CID 113486202
1-ethyl-5-(methylaminomethyl)-N-pyrimidin-2-ylpyrrole-3-sulfonamide
CID 106072059
3-chloro-N-(1-methoxy-2-methylpropan-2-yl)-4-(methylaminomethyl)benzenesulfonamide
CID 106080650
4-fluoro-N-(1-methoxy-2-methylpropan-2-yl)-3-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 106080738
N-[1-(dimethylamino)propan-2-yl]-1-ethyl-5-(methylaminomethyl)pyrrole-3-sulfonamide
CID 106074488
N-(2,2-dimethylbutyl)-1-ethyl-5-(ethylaminomethyl)pyrrole-3-sulfonamide
CID 103466111
1-ethyl-5-(methylaminomethyl)-N-[(2-methylpyrazol-3-yl)methyl]pyrrole-3-sulfonamide
CID 106065070
1-ethyl-4-(2-methylbutan-2-ylsulfamoyl)pyrrole-2-carboxylic acid
CID 43644182
N-(1-methoxy-2-methylpropan-2-yl)benzenesulfonamide
CID 786529

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(1-methoxy-2-methylpropan-2-yl)-5-(methylaminomethyl)pyrrole-3-sulfonamide?
The IUPAC name of 1-ethyl-N-(1-methoxy-2-methylpropan-2-yl)-5-(methylaminomethyl)pyrrole-3-sulfonamide (CID 106080742) is 1-ethyl-N-(1-methoxy-2-methylpropan-2-yl)-5-(methylaminomethyl)pyrrole-3-sulfonamide.
What is the SMILES notation for 1-ethyl-N-(1-methoxy-2-methylpropan-2-yl)-5-(methylaminomethyl)pyrrole-3-sulfonamide?
The canonical SMILES for 1-ethyl-N-(1-methoxy-2-methylpropan-2-yl)-5-(methylaminomethyl)pyrrole-3-sulfonamide is CCn1cc(S(=O)(=O)NC(C)(C)COC)cc1CNC.
What is the InChIKey of 1-ethyl-N-(1-methoxy-2-methylpropan-2-yl)-5-(methylaminomethyl)pyrrole-3-sulfonamide?
The InChIKey is NSNCQTHLIZTZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3S/c1-6-16-9-12(7-11(16)8-14-4)20(17,18)15-13(2,3)10-19-5/h7,9,14-15H,6,8,10H2,1-5H3.
What are the key properties of 1-ethyl-N-(1-methoxy-2-methylpropan-2-yl)-5-(methylaminomethyl)pyrrole-3-sulfonamide?
1-ethyl-N-(1-methoxy-2-methylpropan-2-yl)-5-(methylaminomethyl)pyrrole-3-sulfonamide has a molecular weight of 303.43 g/mol, XLogP of 0.93, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(1-methoxy-2-methylpropan-2-yl)-5-(methylaminomethyl)pyrrole-3-sulfonamide is sourced from PubChem (CID 106080742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).