N-ethyl-1-[(1-methylpyrrol-3-yl)methyl]pyrrolidine-3-sulfonamide

C12H21N3O2S — CID 75500073

IUPACN-ethyl-1-[(1-methylpyrrol-3-yl)methyl]pyrrolidine-3-sulfonamide
SMILESCCNS(=O)(=O)C1CCN(Cc2ccn(C)c2)C1
InChIInChI=1S/C12H21N3O2S/c1-3-13-18(16,17)12-5-7-15(10-12)9-11-4-6-14(2)8-11/h4,6,8,12-13H,3,5,7,9-10H2,1-2H3
InChIKeyIYOYZIIVKDDRIL-UHFFFAOYSA-N
MW271.39 g/mol
LogP0.54
Rot. Bonds5

About N-ethyl-1-[(1-methylpyrrol-3-yl)methyl]pyrrolidine-3-sulfonamide

N-ethyl-1-[(1-methylpyrrol-3-yl)methyl]pyrrolidine-3-sulfonamide (PubChem CID 75500073) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is N-ethyl-1-[(1-methylpyrrol-3-yl)methyl]pyrrolidine-3-sulfonamide.

Molecular Properties

Compound NameN-ethyl-1-[(1-methylpyrrol-3-yl)methyl]pyrrolidine-3-sulfonamide
PubChem CID75500073
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC NameN-ethyl-1-[(1-methylpyrrol-3-yl)methyl]pyrrolidine-3-sulfonamide
SMILESCCNS(=O)(=O)C1CCN(Cc2ccn(C)c2)C1
InChIInChI=1S/C12H21N3O2S/c1-3-13-18(16,17)12-5-7-15(10-12)9-11-4-6-14(2)8-11/h4,6,8,12-13H,3,5,7,9-10H2,1-2H3
InChIKeyIYOYZIIVKDDRIL-UHFFFAOYSA-N
XLogP0.54
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[(1-methylpyrrol-3-yl)methyl]pyrrolidine-3-sulfonamide?
The IUPAC name of N-ethyl-1-[(1-methylpyrrol-3-yl)methyl]pyrrolidine-3-sulfonamide (CID 75500073) is N-ethyl-1-[(1-methylpyrrol-3-yl)methyl]pyrrolidine-3-sulfonamide.
What is the SMILES notation for N-ethyl-1-[(1-methylpyrrol-3-yl)methyl]pyrrolidine-3-sulfonamide?
The canonical SMILES for N-ethyl-1-[(1-methylpyrrol-3-yl)methyl]pyrrolidine-3-sulfonamide is CCNS(=O)(=O)C1CCN(Cc2ccn(C)c2)C1.
What is the InChIKey of N-ethyl-1-[(1-methylpyrrol-3-yl)methyl]pyrrolidine-3-sulfonamide?
The InChIKey is IYOYZIIVKDDRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-3-13-18(16,17)12-5-7-15(10-12)9-11-4-6-14(2)8-11/h4,6,8,12-13H,3,5,7,9-10H2,1-2H3.
What are the key properties of N-ethyl-1-[(1-methylpyrrol-3-yl)methyl]pyrrolidine-3-sulfonamide?
N-ethyl-1-[(1-methylpyrrol-3-yl)methyl]pyrrolidine-3-sulfonamide has a molecular weight of 271.39 g/mol, XLogP of 0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[(1-methylpyrrol-3-yl)methyl]pyrrolidine-3-sulfonamide is sourced from PubChem (CID 75500073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).