N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-2-(methoxymethyl)pyrrolidine-1-sulfonamide

C13H24N4O3S — CID 131912505

IUPACN-[2-(4,5-dimethylimidazol-1-yl)ethyl]-2-(methoxymethyl)pyrrolidine-1-sulfonamide
SMILESCOCC1CCCN1S(=O)(=O)NCCn1cnc(C)c1C
InChIInChI=1S/C13H24N4O3S/c1-11-12(2)16(10-14-11)8-6-15-21(18,19)17-7-4-5-13(17)9-20-3/h10,13,15H,4-9H2,1-3H3
InChIKeyGEODVAHXTPWIPD-UHFFFAOYSA-N
MW316.43 g/mol
LogP0.45
Rot. Bonds7

About N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-2-(methoxymethyl)pyrrolidine-1-sulfonamide

N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-2-(methoxymethyl)pyrrolidine-1-sulfonamide (PubChem CID 131912505) has the molecular formula C13H24N4O3S and a molecular weight of 316.43 g/mol. Its IUPAC name is N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-2-(methoxymethyl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(4,5-dimethylimidazol-1-yl)ethyl]-2-(methoxymethyl)pyrrolidine-1-sulfonamide
PubChem CID131912505
Molecular FormulaC13H24N4O3S
Molecular Weight316.43 g/mol
Exact Mass316.16
IUPAC NameN-[2-(4,5-dimethylimidazol-1-yl)ethyl]-2-(methoxymethyl)pyrrolidine-1-sulfonamide
SMILESCOCC1CCCN1S(=O)(=O)NCCn1cnc(C)c1C
InChIInChI=1S/C13H24N4O3S/c1-11-12(2)16(10-14-11)8-6-15-21(18,19)17-7-4-5-13(17)9-20-3/h10,13,15H,4-9H2,1-3H3
InChIKeyGEODVAHXTPWIPD-UHFFFAOYSA-N
XLogP0.45
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(2-ethylimidazol-1-yl)propyl]-2-(methoxymethyl)pyrrolidine-1-sulfonamide
CID 131895648
2-(methoxymethyl)-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]pyrrolidine-1-sulfonamide
CID 131942103
[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonylcarbamic acid
CID 68551134
(2R)-N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(methoxymethyl)pyrrolidine-1-sulfonamide
CID 164637008
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-(methoxymethyl)pyrrolidine-1-sulfonamide
CID 131924351
N-[2-(4,5-dimethylimidazol-1-yl)ethyl]ethenesulfonamide
CID 167908635
(2R)-2-(methoxymethyl)pyrrolidine-1-sulfonamide
CID 126742603
2-(methoxymethyl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-1-sulfonamide
CID 131907581
1-(2-methoxyethyl)-4,5-dimethylimidazole
CID 54406098
2-(aminomethyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]piperidine-1-sulfonamide
CID 106092025
1-(3,4-dichlorophenyl)sulfonyl-2-(methoxymethyl)pyrrolidine
CID 3718020
2-(hydroxymethyl)-N-(4-methoxybutyl)piperidine-1-sulfonamide
CID 114134652

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-2-(methoxymethyl)pyrrolidine-1-sulfonamide?
The IUPAC name of N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-2-(methoxymethyl)pyrrolidine-1-sulfonamide (CID 131912505) is N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-2-(methoxymethyl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-2-(methoxymethyl)pyrrolidine-1-sulfonamide?
The canonical SMILES for N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-2-(methoxymethyl)pyrrolidine-1-sulfonamide is COCC1CCCN1S(=O)(=O)NCCn1cnc(C)c1C.
What is the InChIKey of N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-2-(methoxymethyl)pyrrolidine-1-sulfonamide?
The InChIKey is GEODVAHXTPWIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O3S/c1-11-12(2)16(10-14-11)8-6-15-21(18,19)17-7-4-5-13(17)9-20-3/h10,13,15H,4-9H2,1-3H3.
What are the key properties of N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-2-(methoxymethyl)pyrrolidine-1-sulfonamide?
N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-2-(methoxymethyl)pyrrolidine-1-sulfonamide has a molecular weight of 316.43 g/mol, XLogP of 0.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-2-(methoxymethyl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 131912505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).