5-[2-(cyclopropylamino)ethyl]-N-(2-methyloxolan-3-yl)thiophene-2-sulfonamide

C14H22N2O3S2 — CID 106076226

IUPAC5-[2-(cyclopropylamino)ethyl]-N-(2-methyloxolan-3-yl)thiophene-2-sulfonamide
SMILESCC1OCCC1NS(=O)(=O)c1ccc(CCNC2CC2)s1
InChIInChI=1S/C14H22N2O3S2/c1-10-13(7-9-19-10)16-21(17,18)14-5-4-12(20-14)6-8-15-11-2-3-11/h4-5,10-11,13,15-16H,2-3,6-9H2,1H3
InChIKeyQJOMJKGFFQVKRZ-UHFFFAOYSA-N
MW330.48 g/mol
LogP1.50
Rot. Bonds7

About 5-[2-(cyclopropylamino)ethyl]-N-(2-methyloxolan-3-yl)thiophene-2-sulfonamide

5-[2-(cyclopropylamino)ethyl]-N-(2-methyloxolan-3-yl)thiophene-2-sulfonamide (PubChem CID 106076226) has the molecular formula C14H22N2O3S2 and a molecular weight of 330.48 g/mol. Its IUPAC name is 5-[2-(cyclopropylamino)ethyl]-N-(2-methyloxolan-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[2-(cyclopropylamino)ethyl]-N-(2-methyloxolan-3-yl)thiophene-2-sulfonamide
PubChem CID106076226
Molecular FormulaC14H22N2O3S2
Molecular Weight330.48 g/mol
Exact Mass330.11
IUPAC Name5-[2-(cyclopropylamino)ethyl]-N-(2-methyloxolan-3-yl)thiophene-2-sulfonamide
SMILESCC1OCCC1NS(=O)(=O)c1ccc(CCNC2CC2)s1
InChIInChI=1S/C14H22N2O3S2/c1-10-13(7-9-19-10)16-21(17,18)14-5-4-12(20-14)6-8-15-11-2-3-11/h4-5,10-11,13,15-16H,2-3,6-9H2,1H3
InChIKeyQJOMJKGFFQVKRZ-UHFFFAOYSA-N
XLogP1.50
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[2-(cyclopropylamino)ethyl]-N-(2-methyloxolan-3-yl)thiophene-2-sulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(2-methyloxolan-3-yl)-5-[2-(propylamino)ethyl]thiophene-2-sulfonamide
CID 106076260
N-(1-cyclobutylethyl)-5-[2-(cyclopropylamino)ethyl]thiophene-2-sulfonamide
CID 106084827
5-[2-(cyclopropylamino)ethyl]-N-(4-methylpentan-2-yl)thiophene-2-sulfonamide
CID 106028590
5-[2-(cyclopropylamino)ethyl]-N-(1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide
CID 106081177
N-cyclopropyl-5-ethylthiophene-2-sulfonamide
CID 61061009
5-[2-(ethylamino)ethyl]-N-(oxan-3-yl)thiophene-2-sulfonamide
CID 106065228
N-(2-ethylcyclopropyl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide
CID 114109937
5-[2-(methylamino)ethyl]-N-(2-methylsulfanylcyclohexyl)thiophene-2-sulfonamide
CID 106091476
5-[2-(methylamino)ethyl]-N-(1-methylpiperidin-4-yl)thiophene-2-sulfonamide
CID 106025620
N-[2-[5-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)thiophen-2-yl]ethyl]cyclopropanamine
CID 114414087
5-[2-(ethylsulfonylamino)ethyl]-N-(2-methylpiperidin-4-yl)thiophene-2-sulfonamide
CID 120586008
5-(2-aminoethyl)-N-(3,5-dimethylcyclohexyl)thiophene-2-sulfonamide
CID 64734291

Frequently Asked Questions

What is the IUPAC name of 5-[2-(cyclopropylamino)ethyl]-N-(2-methyloxolan-3-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-[2-(cyclopropylamino)ethyl]-N-(2-methyloxolan-3-yl)thiophene-2-sulfonamide (CID 106076226) is 5-[2-(cyclopropylamino)ethyl]-N-(2-methyloxolan-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-[2-(cyclopropylamino)ethyl]-N-(2-methyloxolan-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-[2-(cyclopropylamino)ethyl]-N-(2-methyloxolan-3-yl)thiophene-2-sulfonamide is CC1OCCC1NS(=O)(=O)c1ccc(CCNC2CC2)s1.
What is the InChIKey of 5-[2-(cyclopropylamino)ethyl]-N-(2-methyloxolan-3-yl)thiophene-2-sulfonamide?
The InChIKey is QJOMJKGFFQVKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S2/c1-10-13(7-9-19-10)16-21(17,18)14-5-4-12(20-14)6-8-15-11-2-3-11/h4-5,10-11,13,15-16H,2-3,6-9H2,1H3.
What are the key properties of 5-[2-(cyclopropylamino)ethyl]-N-(2-methyloxolan-3-yl)thiophene-2-sulfonamide?
5-[2-(cyclopropylamino)ethyl]-N-(2-methyloxolan-3-yl)thiophene-2-sulfonamide has a molecular weight of 330.48 g/mol, XLogP of 1.50, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(cyclopropylamino)ethyl]-N-(2-methyloxolan-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 106076226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).