N-methyl-N-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]-1-thiophen-2-ylethanamine

C16H22N2O3S2 — CID 55739537

IUPACN-methyl-N-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]-1-thiophen-2-ylethanamine
SMILESCC(c1cccs1)N(C)Cc1ccc(S(=O)(=O)N2CCCC2)o1
InChIInChI=1S/C16H22N2O3S2/c1-13(15-6-5-11-22-15)17(2)12-14-7-8-16(21-14)23(19,20)18-9-3-4-10-18/h5-8,11,13H,3-4,9-10,12H2,1-2H3
InChIKeyFHQHTKNPPVBGME-UHFFFAOYSA-N
MW354.50 g/mol
LogP3.32
Rot. Bonds6

About N-methyl-N-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]-1-thiophen-2-ylethanamine

N-methyl-N-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]-1-thiophen-2-ylethanamine (PubChem CID 55739537) has the molecular formula C16H22N2O3S2 and a molecular weight of 354.50 g/mol. Its IUPAC name is N-methyl-N-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]-1-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-methyl-N-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]-1-thiophen-2-ylethanamine
PubChem CID55739537
Molecular FormulaC16H22N2O3S2
Molecular Weight354.50 g/mol
Exact Mass354.11
IUPAC NameN-methyl-N-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]-1-thiophen-2-ylethanamine
SMILESCC(c1cccs1)N(C)Cc1ccc(S(=O)(=O)N2CCCC2)o1
InChIInChI=1S/C16H22N2O3S2/c1-13(15-6-5-11-22-15)17(2)12-14-7-8-16(21-14)23(19,20)18-9-3-4-10-18/h5-8,11,13H,3-4,9-10,12H2,1-2H3
InChIKeyFHQHTKNPPVBGME-UHFFFAOYSA-N
XLogP3.32
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-methyl-N-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]-1-thiophen-2-ylethanamine with MolForge

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Related Compounds

5-[[methyl(1-thiophen-2-ylethyl)amino]methyl]furan-2-carboxylic acid
CID 54980900
N-[[5-(aminomethyl)furan-2-yl]methyl]-N-methyl-1-thiophen-2-ylethanamine
CID 62431529
methyl 2-methyl-3-[methyl-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]amino]propanoate
CID 47053734
N-ethyl-1-(4-fluorophenyl)-N-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]ethanamine
CID 55838430
1-propan-2-yl-4-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]piperazine
CID 86993095
N-[(3,5-dichlorophenyl)methyl]-N-methyl-1-(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methanamine
CID 55827224
N-methyl-2-(4-piperidin-1-ylsulfonylphenyl)-N-(1-thiophen-2-ylethyl)acetamide
CID 55452056
1-[5-[[(S)-ethylsulfinyl]methyl]furan-2-yl]sulfonylpyrrolidine
CID 97056140
N-methyl-4-piperidin-1-ylsulfonyl-N-(1-thiophen-2-ylethyl)benzamide
CID 24552647
1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-[methyl(1-thiophen-2-ylethyl)amino]ethanone
CID 55470701
(2R)-2-[methyl(thiophen-2-ylmethyl)amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 8516869
N-(1-thiophen-2-ylpropyl)pyrrolidine-1-sulfonamide
CID 131924146

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]-1-thiophen-2-ylethanamine?
The IUPAC name of N-methyl-N-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]-1-thiophen-2-ylethanamine (CID 55739537) is N-methyl-N-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]-1-thiophen-2-ylethanamine.
What is the SMILES notation for N-methyl-N-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]-1-thiophen-2-ylethanamine?
The canonical SMILES for N-methyl-N-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]-1-thiophen-2-ylethanamine is CC(c1cccs1)N(C)Cc1ccc(S(=O)(=O)N2CCCC2)o1.
What is the InChIKey of N-methyl-N-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]-1-thiophen-2-ylethanamine?
The InChIKey is FHQHTKNPPVBGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3S2/c1-13(15-6-5-11-22-15)17(2)12-14-7-8-16(21-14)23(19,20)18-9-3-4-10-18/h5-8,11,13H,3-4,9-10,12H2,1-2H3.
What are the key properties of N-methyl-N-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]-1-thiophen-2-ylethanamine?
N-methyl-N-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]-1-thiophen-2-ylethanamine has a molecular weight of 354.50 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]-1-thiophen-2-ylethanamine is sourced from PubChem (CID 55739537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).