5-[2-(ethylsulfonylamino)ethyl]-N-(2-methylpiperidin-4-yl)thiophene-2-sulfonamide

C14H25N3O4S3 — CID 120586008

IUPAC5-[2-(ethylsulfonylamino)ethyl]-N-(2-methylpiperidin-4-yl)thiophene-2-sulfonamide
SMILESCCS(=O)(=O)NCCc1ccc(S(=O)(=O)NC2CCNC(C)C2)s1
InChIInChI=1S/C14H25N3O4S3/c1-3-23(18,19)16-9-7-13-4-5-14(22-13)24(20,21)17-12-6-8-15-11(2)10-12/h4-5,11-12,15-17H,3,6-10H2,1-2H3
InChIKeyGIEWNQJMBZIBRF-UHFFFAOYSA-N
MW395.57 g/mol
LogP0.65
Rot. Bonds8

About 5-[2-(ethylsulfonylamino)ethyl]-N-(2-methylpiperidin-4-yl)thiophene-2-sulfonamide

5-[2-(ethylsulfonylamino)ethyl]-N-(2-methylpiperidin-4-yl)thiophene-2-sulfonamide (PubChem CID 120586008) has the molecular formula C14H25N3O4S3 and a molecular weight of 395.57 g/mol. Its IUPAC name is 5-[2-(ethylsulfonylamino)ethyl]-N-(2-methylpiperidin-4-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[2-(ethylsulfonylamino)ethyl]-N-(2-methylpiperidin-4-yl)thiophene-2-sulfonamide
PubChem CID120586008
Molecular FormulaC14H25N3O4S3
Molecular Weight395.57 g/mol
Exact Mass395.10
IUPAC Name5-[2-(ethylsulfonylamino)ethyl]-N-(2-methylpiperidin-4-yl)thiophene-2-sulfonamide
SMILESCCS(=O)(=O)NCCc1ccc(S(=O)(=O)NC2CCNC(C)C2)s1
InChIInChI=1S/C14H25N3O4S3/c1-3-23(18,19)16-9-7-13-4-5-14(22-13)24(20,21)17-12-6-8-15-11(2)10-12/h4-5,11-12,15-17H,3,6-10H2,1-2H3
InChIKeyGIEWNQJMBZIBRF-UHFFFAOYSA-N
XLogP0.65
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.57
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-[2-(ethylsulfonylamino)ethyl]-N-(2-methylpiperidin-4-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-cyclopropyl-5-ethylthiophene-2-sulfonamide
CID 61061009
5-[2-(methylamino)ethyl]-N-(3-methylsulfanylcyclohexyl)thiophene-2-sulfonamide
CID 106091389
5-(2-aminoethyl)-N-(3,5-dimethylcyclohexyl)thiophene-2-sulfonamide
CID 64734291
5-[2-(methylamino)ethyl]-N-(1-methylpiperidin-4-yl)thiophene-2-sulfonamide
CID 106025620
N-(2-methylpiperidin-4-yl)-1H-pyrrole-3-sulfonamide
CID 106995654
5-(methylaminomethyl)-N-(3-methylcyclopentyl)thiophene-2-sulfonamide
CID 114551883
N-[2-[5-(piperidin-3-ylsulfamoyl)thiophen-2-yl]ethyl]acetamide
CID 119964284
5-[2-(ethylamino)ethyl]-N-(oxan-3-yl)thiophene-2-sulfonamide
CID 106065228
N-(2-methylpiperidin-4-yl)furan-2-sulfonamide
CID 120875795
N-(2-ethylcyclopropyl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide
CID 114109937
5-[2-(cyclopropylamino)ethyl]-N-(2-methyloxolan-3-yl)thiophene-2-sulfonamide
CID 106076226
2-[[5-[2-(ethylsulfonylamino)ethyl]thiophen-2-yl]sulfonylamino]-3-methylbutanoic acid
CID 122067981

Frequently Asked Questions

What is the IUPAC name of 5-[2-(ethylsulfonylamino)ethyl]-N-(2-methylpiperidin-4-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-[2-(ethylsulfonylamino)ethyl]-N-(2-methylpiperidin-4-yl)thiophene-2-sulfonamide (CID 120586008) is 5-[2-(ethylsulfonylamino)ethyl]-N-(2-methylpiperidin-4-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-[2-(ethylsulfonylamino)ethyl]-N-(2-methylpiperidin-4-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-[2-(ethylsulfonylamino)ethyl]-N-(2-methylpiperidin-4-yl)thiophene-2-sulfonamide is CCS(=O)(=O)NCCc1ccc(S(=O)(=O)NC2CCNC(C)C2)s1.
What is the InChIKey of 5-[2-(ethylsulfonylamino)ethyl]-N-(2-methylpiperidin-4-yl)thiophene-2-sulfonamide?
The InChIKey is GIEWNQJMBZIBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4S3/c1-3-23(18,19)16-9-7-13-4-5-14(22-13)24(20,21)17-12-6-8-15-11(2)10-12/h4-5,11-12,15-17H,3,6-10H2,1-2H3.
What are the key properties of 5-[2-(ethylsulfonylamino)ethyl]-N-(2-methylpiperidin-4-yl)thiophene-2-sulfonamide?
5-[2-(ethylsulfonylamino)ethyl]-N-(2-methylpiperidin-4-yl)thiophene-2-sulfonamide has a molecular weight of 395.57 g/mol, XLogP of 0.65, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(ethylsulfonylamino)ethyl]-N-(2-methylpiperidin-4-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 120586008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).