5-(aminomethyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]furan-2-sulfonamide

C13H23N3O3S — CID 114516893

IUPAC5-(aminomethyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]furan-2-sulfonamide
SMILESCN1CCC(CCNS(=O)(=O)c2ccc(CN)o2)CC1
InChIInChI=1S/C13H23N3O3S/c1-16-8-5-11(6-9-16)4-7-15-20(17,18)13-3-2-12(10-14)19-13/h2-3,11,15H,4-10,14H2,1H3
InChIKeyQXCUEKCQQIUAOI-UHFFFAOYSA-N
MW301.41 g/mol
LogP0.75
Rot. Bonds6

About 5-(aminomethyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]furan-2-sulfonamide

5-(aminomethyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]furan-2-sulfonamide (PubChem CID 114516893) has the molecular formula C13H23N3O3S and a molecular weight of 301.41 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]furan-2-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]furan-2-sulfonamide
PubChem CID114516893
Molecular FormulaC13H23N3O3S
Molecular Weight301.41 g/mol
Exact Mass301.15
IUPAC Name5-(aminomethyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]furan-2-sulfonamide
SMILESCN1CCC(CCNS(=O)(=O)c2ccc(CN)o2)CC1
InChIInChI=1S/C13H23N3O3S/c1-16-8-5-11(6-9-16)4-7-15-20(17,18)13-3-2-12(10-14)19-13/h2-3,11,15H,4-10,14H2,1H3
InChIKeyQXCUEKCQQIUAOI-UHFFFAOYSA-N
XLogP0.75
TPSA88.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]furan-2-sulfonamide
CID 106028482
4-amino-3-bromo-N-[2-(1-methylpiperidin-4-yl)ethyl]benzenesulfonamide
CID 114514910
5-(aminomethyl)-N-(2-ethylsulfonylethyl)furan-2-sulfonamide
CID 114112494
2-(aminomethyl)-4-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]thiophene-3-sulfonamide
CID 106082660
5-(aminomethyl)-2-bromo-N-[2-(1-methylpiperidin-4-yl)ethyl]thiophene-3-sulfonamide
CID 106082684
4-amino-2-chloro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzenesulfonamide
CID 114514907
2,5-dichloro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzenesulfonamide
CID 50875284
5-(aminomethyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]furan-2-sulfonamide
CID 80686088
5-(aminomethyl)-2-methyl-N-[(1-methylpiperidin-4-yl)methyl]furan-3-sulfonamide
CID 106052876
N-[2-(1-methylpiperidin-4-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 56921270
5-[2-(1-methylpiperidin-4-yl)ethylsulfamoyl]thiophene-2-carboxylic acid
CID 114515088
3-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-2-sulfonamide
CID 103300524

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]furan-2-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]furan-2-sulfonamide (CID 114516893) is 5-(aminomethyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]furan-2-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]furan-2-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]furan-2-sulfonamide is CN1CCC(CCNS(=O)(=O)c2ccc(CN)o2)CC1.
What is the InChIKey of 5-(aminomethyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]furan-2-sulfonamide?
The InChIKey is QXCUEKCQQIUAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3S/c1-16-8-5-11(6-9-16)4-7-15-20(17,18)13-3-2-12(10-14)19-13/h2-3,11,15H,4-10,14H2,1H3.
What are the key properties of 5-(aminomethyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]furan-2-sulfonamide?
5-(aminomethyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]furan-2-sulfonamide has a molecular weight of 301.41 g/mol, XLogP of 0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]furan-2-sulfonamide is sourced from PubChem (CID 114516893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).