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

C11H19N3O3S — CID 106028482

IUPAC5-(aminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]furan-2-sulfonamide
SMILESCN1CCCC1CNS(=O)(=O)c1ccc(CN)o1
InChIInChI=1S/C11H19N3O3S/c1-14-6-2-3-9(14)8-13-18(15,16)11-5-4-10(7-12)17-11/h4-5,9,13H,2-3,6-8,12H2,1H3
InChIKeyPGWSPZXGPBGUSR-UHFFFAOYSA-N
MW273.36 g/mol
LogP0.11
Rot. Bonds5

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

5-(aminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]furan-2-sulfonamide (PubChem CID 106028482) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]furan-2-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]furan-2-sulfonamide
PubChem CID106028482
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC Name5-(aminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]furan-2-sulfonamide
SMILESCN1CCCC1CNS(=O)(=O)c1ccc(CN)o1
InChIInChI=1S/C11H19N3O3S/c1-14-6-2-3-9(14)8-13-18(15,16)11-5-4-10(7-12)17-11/h4-5,9,13H,2-3,6-8,12H2,1H3
InChIKeyPGWSPZXGPBGUSR-UHFFFAOYSA-N
XLogP0.11
TPSA88.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]furan-2-sulfonamide
CID 79317578
5-(aminomethyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]furan-2-sulfonamide
CID 114516893
4-amino-3-chloro-N-[(1-methylpiperidin-2-yl)methyl]benzenesulfonamide
CID 115329954
5-(hydroxymethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]thiophene-2-sulfonamide
CID 114137985
1-[2-(aminomethyl)phenyl]-N-[(1-methylpyrrolidin-2-yl)methyl]methanesulfonamide
CID 106024265
4-(2-hydroxyethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]benzenesulfonamide
CID 106022553
5-(aminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]-1-propylpyrrole-3-sulfonamide
CID 106094824
2,4-dibromo-N-[(1-methylpyrrolidin-2-yl)methyl]benzenesulfonamide
CID 113227180
3-chloro-4-(methylaminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]benzenesulfonamide
CID 106094827
4-fluoro-3-(hydroxymethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]benzenesulfonamide
CID 106022558
2-bromo-5-(hydroxymethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]thiophene-3-sulfonamide
CID 106022593
4-bromo-2-fluoro-N-[(1-methylpyrrolidin-2-yl)methyl]benzenesulfonamide
CID 103270066

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]furan-2-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]furan-2-sulfonamide (CID 106028482) is 5-(aminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]furan-2-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]furan-2-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]furan-2-sulfonamide is CN1CCCC1CNS(=O)(=O)c1ccc(CN)o1.
What is the InChIKey of 5-(aminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]furan-2-sulfonamide?
The InChIKey is PGWSPZXGPBGUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c1-14-6-2-3-9(14)8-13-18(15,16)11-5-4-10(7-12)17-11/h4-5,9,13H,2-3,6-8,12H2,1H3.
What are the key properties of 5-(aminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]furan-2-sulfonamide?
5-(aminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]furan-2-sulfonamide has a molecular weight of 273.36 g/mol, XLogP of 0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]furan-2-sulfonamide is sourced from PubChem (CID 106028482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).