N-[[5-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylthiophen-2-yl]methyl]ethanamine

C14H24N2O2S2 — CID 83224006

IUPACN-[[5-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylthiophen-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(S(=O)(=O)N2C(C)CCC2CC)s1
InChIInChI=1S/C14H24N2O2S2/c1-4-12-7-6-11(3)16(12)20(17,18)14-9-8-13(19-14)10-15-5-2/h8-9,11-12,15H,4-7,10H2,1-3H3
InChIKeyCIQKEZMVGDMNEH-UHFFFAOYSA-N
MW316.49 g/mol
LogP2.81
Rot. Bonds6

About N-[[5-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylthiophen-2-yl]methyl]ethanamine

N-[[5-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylthiophen-2-yl]methyl]ethanamine (PubChem CID 83224006) has the molecular formula C14H24N2O2S2 and a molecular weight of 316.49 g/mol. Its IUPAC name is N-[[5-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylthiophen-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylthiophen-2-yl]methyl]ethanamine
PubChem CID83224006
Molecular FormulaC14H24N2O2S2
Molecular Weight316.49 g/mol
Exact Mass316.13
IUPAC NameN-[[5-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylthiophen-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(S(=O)(=O)N2C(C)CCC2CC)s1
InChIInChI=1S/C14H24N2O2S2/c1-4-12-7-6-11(3)16(12)20(17,18)14-9-8-13(19-14)10-15-5-2/h8-9,11-12,15H,4-7,10H2,1-3H3
InChIKeyCIQKEZMVGDMNEH-UHFFFAOYSA-N
XLogP2.81
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylthiophen-2-yl]methyl]ethanamine 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-[[5-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylthiophen-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylthiophen-2-yl]methyl]ethanamine (CID 83224006) is N-[[5-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylthiophen-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylthiophen-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylthiophen-2-yl]methyl]ethanamine is CCNCc1ccc(S(=O)(=O)N2C(C)CCC2CC)s1.
What is the InChIKey of N-[[5-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylthiophen-2-yl]methyl]ethanamine?
The InChIKey is CIQKEZMVGDMNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S2/c1-4-12-7-6-11(3)16(12)20(17,18)14-9-8-13(19-14)10-15-5-2/h8-9,11-12,15H,4-7,10H2,1-3H3.
What are the key properties of N-[[5-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylthiophen-2-yl]methyl]ethanamine?
N-[[5-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylthiophen-2-yl]methyl]ethanamine has a molecular weight of 316.49 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylthiophen-2-yl]methyl]ethanamine is sourced from PubChem (CID 83224006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).