1-[4-(3,4-dimethoxypyrrolidin-1-yl)sulfonylthiophen-2-yl]-N-methylmethanamine

C12H20N2O4S2 — CID 103541547

IUPAC1-[4-(3,4-dimethoxypyrrolidin-1-yl)sulfonylthiophen-2-yl]-N-methylmethanamine
SMILESCNCc1cc(S(=O)(=O)N2CC(OC)C(OC)C2)cs1
InChIInChI=1S/C12H20N2O4S2/c1-13-5-9-4-10(8-19-9)20(15,16)14-6-11(17-2)12(7-14)18-3/h4,8,11-13H,5-7H2,1-3H3
InChIKeyDMHUJMNIPILCBH-UHFFFAOYSA-N
MW320.44 g/mol
LogP0.50
Rot. Bonds6

About 1-[4-(3,4-dimethoxypyrrolidin-1-yl)sulfonylthiophen-2-yl]-N-methylmethanamine

1-[4-(3,4-dimethoxypyrrolidin-1-yl)sulfonylthiophen-2-yl]-N-methylmethanamine (PubChem CID 103541547) has the molecular formula C12H20N2O4S2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 1-[4-(3,4-dimethoxypyrrolidin-1-yl)sulfonylthiophen-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(3,4-dimethoxypyrrolidin-1-yl)sulfonylthiophen-2-yl]-N-methylmethanamine
PubChem CID103541547
Molecular FormulaC12H20N2O4S2
Molecular Weight320.44 g/mol
Exact Mass320.09
IUPAC Name1-[4-(3,4-dimethoxypyrrolidin-1-yl)sulfonylthiophen-2-yl]-N-methylmethanamine
SMILESCNCc1cc(S(=O)(=O)N2CC(OC)C(OC)C2)cs1
InChIInChI=1S/C12H20N2O4S2/c1-13-5-9-4-10(8-19-9)20(15,16)14-6-11(17-2)12(7-14)18-3/h4,8,11-13H,5-7H2,1-3H3
InChIKeyDMHUJMNIPILCBH-UHFFFAOYSA-N
XLogP0.50
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-(3,4-dimethoxypyrrolidin-1-yl)sulfonylthiophen-3-yl]-N-methylmethanamine
CID 103541564
1-[5-bromo-4-(3,4-dimethoxypyrrolidin-1-yl)sulfonylthiophen-2-yl]-N-methylmethanamine
CID 103541579
1-[4-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-1H-pyrrol-2-yl]-N-methylmethanamine
CID 103541533
N-[[4-(3-methoxypiperidin-1-yl)sulfonylthiophen-2-yl]methyl]cyclopropanamine
CID 102971743
1-[2-(3,4-dimethoxypyrrolidin-1-yl)sulfonylphenyl]-N-methylmethanamine
CID 103541531
N-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)thiophen-2-yl]methyl]propan-1-amine
CID 66372289
5-(methylaminomethyl)-N-(thian-4-ylmethyl)thiophene-3-sulfonamide
CID 106078542
1-[4-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-5-methylthiophen-2-yl]-N-methylmethanamine
CID 102971629
4-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-N-methylpyridin-2-amine
CID 103538331
N-(2,3-dihydro-1H-inden-2-yl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106087840
[3-(3,4-dimethoxypyrrolidin-1-yl)sulfonylphenyl]methanol
CID 103541145
N-(3,4-dimethylcyclohexyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106067360

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,4-dimethoxypyrrolidin-1-yl)sulfonylthiophen-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-(3,4-dimethoxypyrrolidin-1-yl)sulfonylthiophen-2-yl]-N-methylmethanamine (CID 103541547) is 1-[4-(3,4-dimethoxypyrrolidin-1-yl)sulfonylthiophen-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(3,4-dimethoxypyrrolidin-1-yl)sulfonylthiophen-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(3,4-dimethoxypyrrolidin-1-yl)sulfonylthiophen-2-yl]-N-methylmethanamine is CNCc1cc(S(=O)(=O)N2CC(OC)C(OC)C2)cs1.
What is the InChIKey of 1-[4-(3,4-dimethoxypyrrolidin-1-yl)sulfonylthiophen-2-yl]-N-methylmethanamine?
The InChIKey is DMHUJMNIPILCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4S2/c1-13-5-9-4-10(8-19-9)20(15,16)14-6-11(17-2)12(7-14)18-3/h4,8,11-13H,5-7H2,1-3H3.
What are the key properties of 1-[4-(3,4-dimethoxypyrrolidin-1-yl)sulfonylthiophen-2-yl]-N-methylmethanamine?
1-[4-(3,4-dimethoxypyrrolidin-1-yl)sulfonylthiophen-2-yl]-N-methylmethanamine has a molecular weight of 320.44 g/mol, XLogP of 0.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,4-dimethoxypyrrolidin-1-yl)sulfonylthiophen-2-yl]-N-methylmethanamine is sourced from PubChem (CID 103541547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).