N-ethyl-N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]-2,5-dimethylthiophene-3-sulfonamide

C15H26N2O2S2 — CID 164631249

IUPACN-ethyl-N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]-2,5-dimethylthiophene-3-sulfonamide
SMILESCCN1CC[C@H](CN(CC)S(=O)(=O)c2cc(C)sc2C)C1
InChIInChI=1S/C15H26N2O2S2/c1-5-16-8-7-14(10-16)11-17(6-2)21(18,19)15-9-12(3)20-13(15)4/h9,14H,5-8,10-11H2,1-4H3/t14-/m0/s1
InChIKeyUBLWTSCQFWJNLG-AWEZNQCLSA-N
MW330.52 g/mol
LogP2.72
Rot. Bonds6

About N-ethyl-N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]-2,5-dimethylthiophene-3-sulfonamide

N-ethyl-N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]-2,5-dimethylthiophene-3-sulfonamide (PubChem CID 164631249) has the molecular formula C15H26N2O2S2 and a molecular weight of 330.52 g/mol. Its IUPAC name is N-ethyl-N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]-2,5-dimethylthiophene-3-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]-2,5-dimethylthiophene-3-sulfonamide
PubChem CID164631249
Molecular FormulaC15H26N2O2S2
Molecular Weight330.52 g/mol
Exact Mass330.14
IUPAC NameN-ethyl-N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]-2,5-dimethylthiophene-3-sulfonamide
SMILESCCN1CC[C@H](CN(CC)S(=O)(=O)c2cc(C)sc2C)C1
InChIInChI=1S/C15H26N2O2S2/c1-5-16-8-7-14(10-16)11-17(6-2)21(18,19)15-9-12(3)20-13(15)4/h9,14H,5-8,10-11H2,1-4H3/t14-/m0/s1
InChIKeyUBLWTSCQFWJNLG-AWEZNQCLSA-N
XLogP2.72
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.52
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-ethyl-N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]-2,5-dimethylthiophene-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]-2,5-dimethylthiophene-3-sulfonamide?
The IUPAC name of N-ethyl-N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]-2,5-dimethylthiophene-3-sulfonamide (CID 164631249) is N-ethyl-N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]-2,5-dimethylthiophene-3-sulfonamide.
What is the SMILES notation for N-ethyl-N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]-2,5-dimethylthiophene-3-sulfonamide?
The canonical SMILES for N-ethyl-N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]-2,5-dimethylthiophene-3-sulfonamide is CCN1CC[C@H](CN(CC)S(=O)(=O)c2cc(C)sc2C)C1.
What is the InChIKey of N-ethyl-N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]-2,5-dimethylthiophene-3-sulfonamide?
The InChIKey is UBLWTSCQFWJNLG-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H26N2O2S2/c1-5-16-8-7-14(10-16)11-17(6-2)21(18,19)15-9-12(3)20-13(15)4/h9,14H,5-8,10-11H2,1-4H3/t14-/m0/s1.
What are the key properties of N-ethyl-N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]-2,5-dimethylthiophene-3-sulfonamide?
N-ethyl-N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]-2,5-dimethylthiophene-3-sulfonamide has a molecular weight of 330.52 g/mol, XLogP of 2.72, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]-2,5-dimethylthiophene-3-sulfonamide is sourced from PubChem (CID 164631249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).