N-ethyl-1-(thiophen-3-ylmethyl)pyrrolidine-3-sulfonamide

C11H18N2O2S2 — CID 75518432

IUPACN-ethyl-1-(thiophen-3-ylmethyl)pyrrolidine-3-sulfonamide
SMILESCCNS(=O)(=O)C1CCN(Cc2ccsc2)C1
InChIInChI=1S/C11H18N2O2S2/c1-2-12-17(14,15)11-3-5-13(8-11)7-10-4-6-16-9-10/h4,6,9,11-12H,2-3,5,7-8H2,1H3
InChIKeyCBANNDFMNYJFPQ-UHFFFAOYSA-N
MW274.41 g/mol
LogP1.26
Rot. Bonds5

About N-ethyl-1-(thiophen-3-ylmethyl)pyrrolidine-3-sulfonamide

N-ethyl-1-(thiophen-3-ylmethyl)pyrrolidine-3-sulfonamide (PubChem CID 75518432) has the molecular formula C11H18N2O2S2 and a molecular weight of 274.41 g/mol. Its IUPAC name is N-ethyl-1-(thiophen-3-ylmethyl)pyrrolidine-3-sulfonamide.

Molecular Properties

Compound NameN-ethyl-1-(thiophen-3-ylmethyl)pyrrolidine-3-sulfonamide
PubChem CID75518432
Molecular FormulaC11H18N2O2S2
Molecular Weight274.41 g/mol
Exact Mass274.08
IUPAC NameN-ethyl-1-(thiophen-3-ylmethyl)pyrrolidine-3-sulfonamide
SMILESCCNS(=O)(=O)C1CCN(Cc2ccsc2)C1
InChIInChI=1S/C11H18N2O2S2/c1-2-12-17(14,15)11-3-5-13(8-11)7-10-4-6-16-9-10/h4,6,9,11-12H,2-3,5,7-8H2,1H3
InChIKeyCBANNDFMNYJFPQ-UHFFFAOYSA-N
XLogP1.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-(3-thiophen-3-ylpropanoyl)pyrrolidine-3-sulfonamide
CID 75440596
(3S)-1-[(2,6-difluorophenyl)methyl]-N-ethylpyrrolidine-3-sulfonamide
CID 97343920
N-ethyl-1-[(5-ethylfuran-2-yl)methyl]pyrrolidine-3-sulfonamide
CID 75500088
1-(2H-chromen-3-ylmethyl)-N-ethylpyrrolidine-3-sulfonamide
CID 86785232
3-ethyl-1-(thiophen-3-ylmethyl)piperidin-4-one
CID 114509019
3-bromo-1-(thiophen-3-ylmethyl)pyrrolidine
CID 80675822
1-(thiophen-3-ylmethyl)pyrrolidin-3-ol
CID 62916311
N-[[(1R,3aS,7aS)-5-(thiophen-3-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]methanesulfonamide
CID 124782364
[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]methanamine
CID 62068989
[(3R)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]methanol
CID 129367813
4-(dimethylsulfamoyl)-N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]benzamide
CID 126851459
1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-N-ethylpyrrolidine-3-sulfonamide
CID 75518425

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(thiophen-3-ylmethyl)pyrrolidine-3-sulfonamide?
The IUPAC name of N-ethyl-1-(thiophen-3-ylmethyl)pyrrolidine-3-sulfonamide (CID 75518432) is N-ethyl-1-(thiophen-3-ylmethyl)pyrrolidine-3-sulfonamide.
What is the SMILES notation for N-ethyl-1-(thiophen-3-ylmethyl)pyrrolidine-3-sulfonamide?
The canonical SMILES for N-ethyl-1-(thiophen-3-ylmethyl)pyrrolidine-3-sulfonamide is CCNS(=O)(=O)C1CCN(Cc2ccsc2)C1.
What is the InChIKey of N-ethyl-1-(thiophen-3-ylmethyl)pyrrolidine-3-sulfonamide?
The InChIKey is CBANNDFMNYJFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S2/c1-2-12-17(14,15)11-3-5-13(8-11)7-10-4-6-16-9-10/h4,6,9,11-12H,2-3,5,7-8H2,1H3.
What are the key properties of N-ethyl-1-(thiophen-3-ylmethyl)pyrrolidine-3-sulfonamide?
N-ethyl-1-(thiophen-3-ylmethyl)pyrrolidine-3-sulfonamide has a molecular weight of 274.41 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(thiophen-3-ylmethyl)pyrrolidine-3-sulfonamide is sourced from PubChem (CID 75518432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).