N-(2-methoxyethyl)-1-methyl-5-(methylaminomethyl)-N-propan-2-ylpyrrole-3-sulfonamide

C13H25N3O3S — CID 82953193

IUPACN-(2-methoxyethyl)-1-methyl-5-(methylaminomethyl)-N-propan-2-ylpyrrole-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)N(CCOC)C(C)C)cn1C
InChIInChI=1S/C13H25N3O3S/c1-11(2)16(6-7-19-5)20(17,18)13-8-12(9-14-3)15(4)10-13/h8,10-11,14H,6-7,9H2,1-5H3
InChIKeyOGOMSXOTHQWBQF-UHFFFAOYSA-N
MW303.43 g/mol
LogP0.79
Rot. Bonds8

About N-(2-methoxyethyl)-1-methyl-5-(methylaminomethyl)-N-propan-2-ylpyrrole-3-sulfonamide

N-(2-methoxyethyl)-1-methyl-5-(methylaminomethyl)-N-propan-2-ylpyrrole-3-sulfonamide (PubChem CID 82953193) has the molecular formula C13H25N3O3S and a molecular weight of 303.43 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-methyl-5-(methylaminomethyl)-N-propan-2-ylpyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-methyl-5-(methylaminomethyl)-N-propan-2-ylpyrrole-3-sulfonamide
PubChem CID82953193
Molecular FormulaC13H25N3O3S
Molecular Weight303.43 g/mol
Exact Mass303.16
IUPAC NameN-(2-methoxyethyl)-1-methyl-5-(methylaminomethyl)-N-propan-2-ylpyrrole-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)N(CCOC)C(C)C)cn1C
InChIInChI=1S/C13H25N3O3S/c1-11(2)16(6-7-19-5)20(17,18)13-8-12(9-14-3)15(4)10-13/h8,10-11,14H,6-7,9H2,1-5H3
InChIKeyOGOMSXOTHQWBQF-UHFFFAOYSA-N
XLogP0.79
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1-methyl-5-(methylaminomethyl)-N-propan-2-ylpyrrole-3-sulfonamide?
The IUPAC name of N-(2-methoxyethyl)-1-methyl-5-(methylaminomethyl)-N-propan-2-ylpyrrole-3-sulfonamide (CID 82953193) is N-(2-methoxyethyl)-1-methyl-5-(methylaminomethyl)-N-propan-2-ylpyrrole-3-sulfonamide.
What is the SMILES notation for N-(2-methoxyethyl)-1-methyl-5-(methylaminomethyl)-N-propan-2-ylpyrrole-3-sulfonamide?
The canonical SMILES for N-(2-methoxyethyl)-1-methyl-5-(methylaminomethyl)-N-propan-2-ylpyrrole-3-sulfonamide is CNCc1cc(S(=O)(=O)N(CCOC)C(C)C)cn1C.
What is the InChIKey of N-(2-methoxyethyl)-1-methyl-5-(methylaminomethyl)-N-propan-2-ylpyrrole-3-sulfonamide?
The InChIKey is OGOMSXOTHQWBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3S/c1-11(2)16(6-7-19-5)20(17,18)13-8-12(9-14-3)15(4)10-13/h8,10-11,14H,6-7,9H2,1-5H3.
What are the key properties of N-(2-methoxyethyl)-1-methyl-5-(methylaminomethyl)-N-propan-2-ylpyrrole-3-sulfonamide?
N-(2-methoxyethyl)-1-methyl-5-(methylaminomethyl)-N-propan-2-ylpyrrole-3-sulfonamide has a molecular weight of 303.43 g/mol, XLogP of 0.79, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-methyl-5-(methylaminomethyl)-N-propan-2-ylpyrrole-3-sulfonamide is sourced from PubChem (CID 82953193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).