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

C14H27N3O3S — CID 81064021

IUPACN-(2-ethoxyethyl)-N-methyl-5-(methylaminomethyl)-1-propan-2-ylpyrrole-3-sulfonamide
SMILESCCOCCN(C)S(=O)(=O)c1cc(CNC)n(C(C)C)c1
InChIInChI=1S/C14H27N3O3S/c1-6-20-8-7-16(5)21(18,19)14-9-13(10-15-4)17(11-14)12(2)3/h9,11-12,15H,6-8,10H2,1-5H3
InChIKeyVUWACUBUHCOYFS-UHFFFAOYSA-N
MW317.46 g/mol
LogP1.45
Rot. Bonds9

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

N-(2-ethoxyethyl)-N-methyl-5-(methylaminomethyl)-1-propan-2-ylpyrrole-3-sulfonamide (PubChem CID 81064021) has the molecular formula C14H27N3O3S and a molecular weight of 317.46 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-N-methyl-5-(methylaminomethyl)-1-propan-2-ylpyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-N-methyl-5-(methylaminomethyl)-1-propan-2-ylpyrrole-3-sulfonamide
PubChem CID81064021
Molecular FormulaC14H27N3O3S
Molecular Weight317.46 g/mol
Exact Mass317.18
IUPAC NameN-(2-ethoxyethyl)-N-methyl-5-(methylaminomethyl)-1-propan-2-ylpyrrole-3-sulfonamide
SMILESCCOCCN(C)S(=O)(=O)c1cc(CNC)n(C(C)C)c1
InChIInChI=1S/C14H27N3O3S/c1-6-20-8-7-16(5)21(18,19)14-9-13(10-15-4)17(11-14)12(2)3/h9,11-12,15H,6-8,10H2,1-5H3
InChIKeyVUWACUBUHCOYFS-UHFFFAOYSA-N
XLogP1.45
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(chloromethyl)-N-(2-ethoxyethyl)-N-methyl-1-propan-2-ylpyrrole-3-sulfonamide
CID 81064068
N-(2-ethoxyethyl)-5-(hydroxymethyl)-N,1-dimethylpyrrole-3-sulfonamide
CID 81074914
5-(chloromethyl)-N-(2-ethoxyethyl)-N,1-dimethylpyrrole-3-sulfonamide
CID 81064720
5-(methylaminomethyl)-N-(2-methylpentan-3-yl)-1-propan-2-ylpyrrole-3-sulfonamide
CID 106018970
N-(2-ethoxyethyl)-N-methyl-2-(methylaminomethyl)benzenesulfonamide
CID 81068198
5-(methylaminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)-1-propan-2-ylpyrrole-3-sulfonamide
CID 106064892
5-chloro-N-(2-ethoxyethyl)-N,2-dimethyl-3-(methylaminomethyl)benzenesulfonamide
CID 82878475
N-(2-ethoxyethyl)-N-methyl-3-[1-(methylamino)propyl]benzenesulfonamide
CID 81036858
N-(2-cyclopropylpropan-2-yl)-5-(methylaminomethyl)-1-propan-2-ylpyrrole-3-sulfonamide
CID 106091263
N-(2-methoxyethyl)-1-methyl-5-(methylaminomethyl)-N-propan-2-ylpyrrole-3-sulfonamide
CID 82953193
4-[ethyl(methyl)sulfamoyl]-1-propan-2-ylpyrrole-2-carboxylic acid
CID 43644484
N-(2-ethoxyethyl)-N-methyl-1-[4-(methylaminomethyl)phenyl]methanesulfonamide
CID 81067624

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-N-methyl-5-(methylaminomethyl)-1-propan-2-ylpyrrole-3-sulfonamide?
The IUPAC name of N-(2-ethoxyethyl)-N-methyl-5-(methylaminomethyl)-1-propan-2-ylpyrrole-3-sulfonamide (CID 81064021) is N-(2-ethoxyethyl)-N-methyl-5-(methylaminomethyl)-1-propan-2-ylpyrrole-3-sulfonamide.
What is the SMILES notation for N-(2-ethoxyethyl)-N-methyl-5-(methylaminomethyl)-1-propan-2-ylpyrrole-3-sulfonamide?
The canonical SMILES for N-(2-ethoxyethyl)-N-methyl-5-(methylaminomethyl)-1-propan-2-ylpyrrole-3-sulfonamide is CCOCCN(C)S(=O)(=O)c1cc(CNC)n(C(C)C)c1.
What is the InChIKey of N-(2-ethoxyethyl)-N-methyl-5-(methylaminomethyl)-1-propan-2-ylpyrrole-3-sulfonamide?
The InChIKey is VUWACUBUHCOYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3S/c1-6-20-8-7-16(5)21(18,19)14-9-13(10-15-4)17(11-14)12(2)3/h9,11-12,15H,6-8,10H2,1-5H3.
What are the key properties of N-(2-ethoxyethyl)-N-methyl-5-(methylaminomethyl)-1-propan-2-ylpyrrole-3-sulfonamide?
N-(2-ethoxyethyl)-N-methyl-5-(methylaminomethyl)-1-propan-2-ylpyrrole-3-sulfonamide has a molecular weight of 317.46 g/mol, XLogP of 1.45, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-N-methyl-5-(methylaminomethyl)-1-propan-2-ylpyrrole-3-sulfonamide is sourced from PubChem (CID 81064021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).