5-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]furan-2-sulfonamide

C12H21N3O3S — CID 79317578

IUPAC5-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]furan-2-sulfonamide
SMILESCN1CCCC1CN(C)S(=O)(=O)c1ccc(CN)o1
InChIInChI=1S/C12H21N3O3S/c1-14-7-3-4-10(14)9-15(2)19(16,17)12-6-5-11(8-13)18-12/h5-6,10H,3-4,7-9,13H2,1-2H3
InChIKeyLGFMWJFIRPNKMQ-UHFFFAOYSA-N
MW287.39 g/mol
LogP0.45
Rot. Bonds5

About 5-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]furan-2-sulfonamide

5-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]furan-2-sulfonamide (PubChem CID 79317578) has the molecular formula C12H21N3O3S and a molecular weight of 287.39 g/mol. Its IUPAC name is 5-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]furan-2-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]furan-2-sulfonamide
PubChem CID79317578
Molecular FormulaC12H21N3O3S
Molecular Weight287.39 g/mol
Exact Mass287.13
IUPAC Name5-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]furan-2-sulfonamide
SMILESCN1CCCC1CN(C)S(=O)(=O)c1ccc(CN)o1
InChIInChI=1S/C12H21N3O3S/c1-14-7-3-4-10(14)9-15(2)19(16,17)12-6-5-11(8-13)18-12/h5-6,10H,3-4,7-9,13H2,1-2H3
InChIKeyLGFMWJFIRPNKMQ-UHFFFAOYSA-N
XLogP0.45
TPSA79.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]furan-2-sulfonamide
CID 106028482
6-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-sulfonamide
CID 114613614
3-amino-4-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzenesulfonamide
CID 79303402
5-(aminomethyl)-N,2-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]thiophene-3-sulfonamide
CID 79317908
2-amino-N,6-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzenesulfonamide
CID 79303401
5-(2-hydroxyethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]thiophene-2-sulfonamide
CID 79318370
2-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-5-sulfonamide
CID 79312411
3-amino-5-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzenesulfonamide
CID 79303400
N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]methanesulfonamide
CID 59418403
2-amino-4,6-dibromo-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzenesulfonamide
CID 79304411
2-amino-3-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzenesulfonamide
CID 79304233
3-(chloromethyl)-N,4-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzenesulfonamide
CID 79308821

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]furan-2-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]furan-2-sulfonamide (CID 79317578) is 5-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]furan-2-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]furan-2-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]furan-2-sulfonamide is CN1CCCC1CN(C)S(=O)(=O)c1ccc(CN)o1.
What is the InChIKey of 5-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]furan-2-sulfonamide?
The InChIKey is LGFMWJFIRPNKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-14-7-3-4-10(14)9-15(2)19(16,17)12-6-5-11(8-13)18-12/h5-6,10H,3-4,7-9,13H2,1-2H3.
What are the key properties of 5-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]furan-2-sulfonamide?
5-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]furan-2-sulfonamide has a molecular weight of 287.39 g/mol, XLogP of 0.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]furan-2-sulfonamide is sourced from PubChem (CID 79317578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).