5-(methylaminomethyl)-N-(oxolan-3-yl)-1-propylpyrrole-3-sulfonamide

C13H23N3O3S — CID 106072487

IUPAC5-(methylaminomethyl)-N-(oxolan-3-yl)-1-propylpyrrole-3-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NC2CCOC2)cc1CNC
InChIInChI=1S/C13H23N3O3S/c1-3-5-16-9-13(7-12(16)8-14-2)20(17,18)15-11-4-6-19-10-11/h7,9,11,14-15H,3-6,8,10H2,1-2H3
InChIKeyOVILMMKRGZTBTP-UHFFFAOYSA-N
MW301.41 g/mol
LogP0.68
Rot. Bonds7

About 5-(methylaminomethyl)-N-(oxolan-3-yl)-1-propylpyrrole-3-sulfonamide

5-(methylaminomethyl)-N-(oxolan-3-yl)-1-propylpyrrole-3-sulfonamide (PubChem CID 106072487) has the molecular formula C13H23N3O3S and a molecular weight of 301.41 g/mol. Its IUPAC name is 5-(methylaminomethyl)-N-(oxolan-3-yl)-1-propylpyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(methylaminomethyl)-N-(oxolan-3-yl)-1-propylpyrrole-3-sulfonamide
PubChem CID106072487
Molecular FormulaC13H23N3O3S
Molecular Weight301.41 g/mol
Exact Mass301.15
IUPAC Name5-(methylaminomethyl)-N-(oxolan-3-yl)-1-propylpyrrole-3-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NC2CCOC2)cc1CNC
InChIInChI=1S/C13H23N3O3S/c1-3-5-16-9-13(7-12(16)8-14-2)20(17,18)15-11-4-6-19-10-11/h7,9,11,14-15H,3-6,8,10H2,1-2H3
InChIKeyOVILMMKRGZTBTP-UHFFFAOYSA-N
XLogP0.68
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(cyclopropylamino)methyl]-1-ethyl-N-(oxolan-3-yl)pyrrole-3-sulfonamide
CID 106072562
1-methyl-5-(methylaminomethyl)-N-(oxan-3-yl)pyrrole-3-sulfonamide
CID 106065320
5-(aminomethyl)-1-methyl-N-(oxolan-3-yl)pyrrole-3-sulfonamide
CID 106072305
5-(ethylaminomethyl)-N-(oxolan-3-yl)-1-propan-2-ylpyrrole-3-sulfonamide
CID 106072593
5-(hydroxymethyl)-N-(2-methyloxan-4-yl)-1-propylpyrrole-3-sulfonamide
CID 106002604
N-(4-ethylcyclohexyl)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide
CID 106053101
N-(2-methoxypropyl)-5-(methylaminomethyl)-1-propylpyrrole-3-sulfonamide
CID 102701585
N-(2-bicyclo[2.2.1]heptanyl)-1-ethyl-5-(methylaminomethyl)pyrrole-3-sulfonamide
CID 106067802
5-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)-1-propylpyrrole-3-sulfonamide
CID 106077560
4-ethyl-N-(oxolan-3-yl)benzenesulfonamide
CID 110868831
1-ethyl-5-(methylaminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrrole-3-sulfonamide
CID 106072874
5-(methylaminomethyl)-N-(oxolan-3-yl)thiophene-2-sulfonamide
CID 106072321

Frequently Asked Questions

What is the IUPAC name of 5-(methylaminomethyl)-N-(oxolan-3-yl)-1-propylpyrrole-3-sulfonamide?
The IUPAC name of 5-(methylaminomethyl)-N-(oxolan-3-yl)-1-propylpyrrole-3-sulfonamide (CID 106072487) is 5-(methylaminomethyl)-N-(oxolan-3-yl)-1-propylpyrrole-3-sulfonamide.
What is the SMILES notation for 5-(methylaminomethyl)-N-(oxolan-3-yl)-1-propylpyrrole-3-sulfonamide?
The canonical SMILES for 5-(methylaminomethyl)-N-(oxolan-3-yl)-1-propylpyrrole-3-sulfonamide is CCCn1cc(S(=O)(=O)NC2CCOC2)cc1CNC.
What is the InChIKey of 5-(methylaminomethyl)-N-(oxolan-3-yl)-1-propylpyrrole-3-sulfonamide?
The InChIKey is OVILMMKRGZTBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3S/c1-3-5-16-9-13(7-12(16)8-14-2)20(17,18)15-11-4-6-19-10-11/h7,9,11,14-15H,3-6,8,10H2,1-2H3.
What are the key properties of 5-(methylaminomethyl)-N-(oxolan-3-yl)-1-propylpyrrole-3-sulfonamide?
5-(methylaminomethyl)-N-(oxolan-3-yl)-1-propylpyrrole-3-sulfonamide has a molecular weight of 301.41 g/mol, XLogP of 0.68, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylaminomethyl)-N-(oxolan-3-yl)-1-propylpyrrole-3-sulfonamide is sourced from PubChem (CID 106072487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).