1-[1-(3-methoxythiophen-2-yl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine

C11H18N2O3S2 — CID 119991163

IUPAC1-[1-(3-methoxythiophen-2-yl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
SMILESCNCC1CCCN1S(=O)(=O)c1sccc1OC
InChIInChI=1S/C11H18N2O3S2/c1-12-8-9-4-3-6-13(9)18(14,15)11-10(16-2)5-7-17-11/h5,7,9,12H,3-4,6,8H2,1-2H3
InChIKeyREOKVLKIGPTDBG-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.13
Rot. Bonds5

About 1-[1-(3-methoxythiophen-2-yl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine

1-[1-(3-methoxythiophen-2-yl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine (PubChem CID 119991163) has the molecular formula C11H18N2O3S2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[1-(3-methoxythiophen-2-yl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(3-methoxythiophen-2-yl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
PubChem CID119991163
Molecular FormulaC11H18N2O3S2
Molecular Weight290.41 g/mol
Exact Mass290.08
IUPAC Name1-[1-(3-methoxythiophen-2-yl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
SMILESCNCC1CCCN1S(=O)(=O)c1sccc1OC
InChIInChI=1S/C11H18N2O3S2/c1-12-8-9-4-3-6-13(9)18(14,15)11-10(16-2)5-7-17-11/h5,7,9,12H,3-4,6,8H2,1-2H3
InChIKeyREOKVLKIGPTDBG-UHFFFAOYSA-N
XLogP1.13
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[1-(3-methoxythiophen-2-yl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine 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 1-[1-(3-methoxythiophen-2-yl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(3-methoxythiophen-2-yl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine (CID 119991163) is 1-[1-(3-methoxythiophen-2-yl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(3-methoxythiophen-2-yl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(3-methoxythiophen-2-yl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine is CNCC1CCCN1S(=O)(=O)c1sccc1OC.
What is the InChIKey of 1-[1-(3-methoxythiophen-2-yl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine?
The InChIKey is REOKVLKIGPTDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S2/c1-12-8-9-4-3-6-13(9)18(14,15)11-10(16-2)5-7-17-11/h5,7,9,12H,3-4,6,8H2,1-2H3.
What are the key properties of 1-[1-(3-methoxythiophen-2-yl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine?
1-[1-(3-methoxythiophen-2-yl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine has a molecular weight of 290.41 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methoxythiophen-2-yl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine is sourced from PubChem (CID 119991163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).