2-(propylaminomethyl)-N-(2,2,3,3-tetramethylcyclopropyl)thiophene-3-sulfonamide

C15H26N2O2S2 — CID 79361702

IUPAC2-(propylaminomethyl)-N-(2,2,3,3-tetramethylcyclopropyl)thiophene-3-sulfonamide
SMILESCCCNCc1sccc1S(=O)(=O)NC1C(C)(C)C1(C)C
InChIInChI=1S/C15H26N2O2S2/c1-6-8-16-10-11-12(7-9-20-11)21(18,19)17-13-14(2,3)15(13,4)5/h7,9,13,16-17H,6,8,10H2,1-5H3
InChIKeyUURWYCTYXWYBJR-UHFFFAOYSA-N
MW330.52 g/mol
LogP2.96
Rot. Bonds7

About 2-(propylaminomethyl)-N-(2,2,3,3-tetramethylcyclopropyl)thiophene-3-sulfonamide

2-(propylaminomethyl)-N-(2,2,3,3-tetramethylcyclopropyl)thiophene-3-sulfonamide (PubChem CID 79361702) has the molecular formula C15H26N2O2S2 and a molecular weight of 330.52 g/mol. Its IUPAC name is 2-(propylaminomethyl)-N-(2,2,3,3-tetramethylcyclopropyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(propylaminomethyl)-N-(2,2,3,3-tetramethylcyclopropyl)thiophene-3-sulfonamide
PubChem CID79361702
Molecular FormulaC15H26N2O2S2
Molecular Weight330.52 g/mol
Exact Mass330.14
IUPAC Name2-(propylaminomethyl)-N-(2,2,3,3-tetramethylcyclopropyl)thiophene-3-sulfonamide
SMILESCCCNCc1sccc1S(=O)(=O)NC1C(C)(C)C1(C)C
InChIInChI=1S/C15H26N2O2S2/c1-6-8-16-10-11-12(7-9-20-11)21(18,19)17-13-14(2,3)15(13,4)5/h7,9,13,16-17H,6,8,10H2,1-5H3
InChIKeyUURWYCTYXWYBJR-UHFFFAOYSA-N
XLogP2.96
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.52
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(propylaminomethyl)-N-(2,2,3,3-tetramethylcyclopropyl)thiophene-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

Related Compounds

N-(3-methylpentan-3-yl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106331888
N-(3-methylcyclohexyl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106027355
N-(cyclopentylmethyl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106026704
N-(2-methyl-2-methylsulfanylpropyl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106080826
N-(4-bromophenyl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106061353
2-(propylaminomethyl)-N-pyrimidin-5-ylthiophene-3-sulfonamide
CID 106088593
N-[2-(dimethylamino)propyl]-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106017177
N-(2-ethoxypropyl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106078715
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106082739
N-[2-(2-methylpropoxy)ethyl]-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106085314
N-(5-methyl-1,3-thiazol-2-yl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106060935
N-[[3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylthiophen-2-yl]methyl]propan-1-amine
CID 83220194

Frequently Asked Questions

What is the IUPAC name of 2-(propylaminomethyl)-N-(2,2,3,3-tetramethylcyclopropyl)thiophene-3-sulfonamide?
The IUPAC name of 2-(propylaminomethyl)-N-(2,2,3,3-tetramethylcyclopropyl)thiophene-3-sulfonamide (CID 79361702) is 2-(propylaminomethyl)-N-(2,2,3,3-tetramethylcyclopropyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2-(propylaminomethyl)-N-(2,2,3,3-tetramethylcyclopropyl)thiophene-3-sulfonamide?
The canonical SMILES for 2-(propylaminomethyl)-N-(2,2,3,3-tetramethylcyclopropyl)thiophene-3-sulfonamide is CCCNCc1sccc1S(=O)(=O)NC1C(C)(C)C1(C)C.
What is the InChIKey of 2-(propylaminomethyl)-N-(2,2,3,3-tetramethylcyclopropyl)thiophene-3-sulfonamide?
The InChIKey is UURWYCTYXWYBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S2/c1-6-8-16-10-11-12(7-9-20-11)21(18,19)17-13-14(2,3)15(13,4)5/h7,9,13,16-17H,6,8,10H2,1-5H3.
What are the key properties of 2-(propylaminomethyl)-N-(2,2,3,3-tetramethylcyclopropyl)thiophene-3-sulfonamide?
2-(propylaminomethyl)-N-(2,2,3,3-tetramethylcyclopropyl)thiophene-3-sulfonamide has a molecular weight of 330.52 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propylaminomethyl)-N-(2,2,3,3-tetramethylcyclopropyl)thiophene-3-sulfonamide is sourced from PubChem (CID 79361702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).