N-[3-(2-ethylimidazol-1-yl)propyl]-2-(methoxymethyl)pyrrolidine-1-sulfonamide

C14H26N4O3S — CID 131895648

IUPACN-[3-(2-ethylimidazol-1-yl)propyl]-2-(methoxymethyl)pyrrolidine-1-sulfonamide
SMILESCCc1nccn1CCCNS(=O)(=O)N1CCCC1COC
InChIInChI=1S/C14H26N4O3S/c1-3-14-15-8-11-17(14)9-5-7-16-22(19,20)18-10-4-6-13(18)12-21-2/h8,11,13,16H,3-7,9-10,12H2,1-2H3
InChIKeyTYCWRGVAHPTJGG-UHFFFAOYSA-N
MW330.45 g/mol
LogP0.78
Rot. Bonds9

About N-[3-(2-ethylimidazol-1-yl)propyl]-2-(methoxymethyl)pyrrolidine-1-sulfonamide

N-[3-(2-ethylimidazol-1-yl)propyl]-2-(methoxymethyl)pyrrolidine-1-sulfonamide (PubChem CID 131895648) has the molecular formula C14H26N4O3S and a molecular weight of 330.45 g/mol. Its IUPAC name is N-[3-(2-ethylimidazol-1-yl)propyl]-2-(methoxymethyl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-[3-(2-ethylimidazol-1-yl)propyl]-2-(methoxymethyl)pyrrolidine-1-sulfonamide
PubChem CID131895648
Molecular FormulaC14H26N4O3S
Molecular Weight330.45 g/mol
Exact Mass330.17
IUPAC NameN-[3-(2-ethylimidazol-1-yl)propyl]-2-(methoxymethyl)pyrrolidine-1-sulfonamide
SMILESCCc1nccn1CCCNS(=O)(=O)N1CCCC1COC
InChIInChI=1S/C14H26N4O3S/c1-3-14-15-8-11-17(14)9-5-7-16-22(19,20)18-10-4-6-13(18)12-21-2/h8,11,13,16H,3-7,9-10,12H2,1-2H3
InChIKeyTYCWRGVAHPTJGG-UHFFFAOYSA-N
XLogP0.78
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 50.78
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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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-ethylimidazol-1-yl)propyl]-2-(methoxymethyl)pyrrolidine-1-sulfonamide?
The IUPAC name of N-[3-(2-ethylimidazol-1-yl)propyl]-2-(methoxymethyl)pyrrolidine-1-sulfonamide (CID 131895648) is N-[3-(2-ethylimidazol-1-yl)propyl]-2-(methoxymethyl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-[3-(2-ethylimidazol-1-yl)propyl]-2-(methoxymethyl)pyrrolidine-1-sulfonamide?
The canonical SMILES for N-[3-(2-ethylimidazol-1-yl)propyl]-2-(methoxymethyl)pyrrolidine-1-sulfonamide is CCc1nccn1CCCNS(=O)(=O)N1CCCC1COC.
What is the InChIKey of N-[3-(2-ethylimidazol-1-yl)propyl]-2-(methoxymethyl)pyrrolidine-1-sulfonamide?
The InChIKey is TYCWRGVAHPTJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O3S/c1-3-14-15-8-11-17(14)9-5-7-16-22(19,20)18-10-4-6-13(18)12-21-2/h8,11,13,16H,3-7,9-10,12H2,1-2H3.
What are the key properties of N-[3-(2-ethylimidazol-1-yl)propyl]-2-(methoxymethyl)pyrrolidine-1-sulfonamide?
N-[3-(2-ethylimidazol-1-yl)propyl]-2-(methoxymethyl)pyrrolidine-1-sulfonamide has a molecular weight of 330.45 g/mol, XLogP of 0.78, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-ethylimidazol-1-yl)propyl]-2-(methoxymethyl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 131895648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).