5-(aminomethyl)-2-methyl-N-(2-piperidin-1-ylethyl)furan-3-sulfonamide

C13H23N3O3S — CID 106049664

IUPAC5-(aminomethyl)-2-methyl-N-(2-piperidin-1-ylethyl)furan-3-sulfonamide
SMILESCc1oc(CN)cc1S(=O)(=O)NCCN1CCCCC1
InChIInChI=1S/C13H23N3O3S/c1-11-13(9-12(10-14)19-11)20(17,18)15-5-8-16-6-3-2-4-7-16/h9,15H,2-8,10,14H2,1H3
InChIKeyNDSKPXZZODODQK-UHFFFAOYSA-N
MW301.41 g/mol
LogP0.81
Rot. Bonds6

About 5-(aminomethyl)-2-methyl-N-(2-piperidin-1-ylethyl)furan-3-sulfonamide

5-(aminomethyl)-2-methyl-N-(2-piperidin-1-ylethyl)furan-3-sulfonamide (PubChem CID 106049664) has the molecular formula C13H23N3O3S and a molecular weight of 301.41 g/mol. Its IUPAC name is 5-(aminomethyl)-2-methyl-N-(2-piperidin-1-ylethyl)furan-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2-methyl-N-(2-piperidin-1-ylethyl)furan-3-sulfonamide
PubChem CID106049664
Molecular FormulaC13H23N3O3S
Molecular Weight301.41 g/mol
Exact Mass301.15
IUPAC Name5-(aminomethyl)-2-methyl-N-(2-piperidin-1-ylethyl)furan-3-sulfonamide
SMILESCc1oc(CN)cc1S(=O)(=O)NCCN1CCCCC1
InChIInChI=1S/C13H23N3O3S/c1-11-13(9-12(10-14)19-11)20(17,18)15-5-8-16-6-3-2-4-7-16/h9,15H,2-8,10,14H2,1H3
InChIKeyNDSKPXZZODODQK-UHFFFAOYSA-N
XLogP0.81
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 ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-2-methyl-N-[(1-methylpiperidin-4-yl)methyl]furan-3-sulfonamide
CID 106052876
5-(aminomethyl)-2-methyl-N-(3-methylbutyl)furan-3-sulfonamide
CID 106059070
5-(aminomethyl)-N-(2-cyclohexyloxyethyl)-2-methylfuran-3-sulfonamide
CID 106062887
5-amino-N-[2-(azepan-1-yl)ethyl]-2-methylbenzenesulfonamide
CID 61242109
3-amino-2,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 79889833
5-(aminomethyl)-2-bromo-N-(2-thiomorpholin-4-ylethyl)furan-3-sulfonamide
CID 106327441
5-(aminomethyl)-N-[2-(diethylamino)ethyl]-2-methylfuran-3-sulfonamide
CID 106034427
2-amino-4-methyl-N-(3-piperidin-1-ylpropyl)benzenesulfonamide
CID 61106774
4-(aminomethyl)-2-methyl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 106996929
5-(aminomethyl)-N-(2-methoxy-2-methylpropyl)-2-methylfuran-3-sulfonamide
CID 106079921
5-bromo-2-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 60661463
3-amino-2,5,6-trimethyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 106504797

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-methyl-N-(2-piperidin-1-ylethyl)furan-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-2-methyl-N-(2-piperidin-1-ylethyl)furan-3-sulfonamide (CID 106049664) is 5-(aminomethyl)-2-methyl-N-(2-piperidin-1-ylethyl)furan-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2-methyl-N-(2-piperidin-1-ylethyl)furan-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-2-methyl-N-(2-piperidin-1-ylethyl)furan-3-sulfonamide is Cc1oc(CN)cc1S(=O)(=O)NCCN1CCCCC1.
What is the InChIKey of 5-(aminomethyl)-2-methyl-N-(2-piperidin-1-ylethyl)furan-3-sulfonamide?
The InChIKey is NDSKPXZZODODQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3S/c1-11-13(9-12(10-14)19-11)20(17,18)15-5-8-16-6-3-2-4-7-16/h9,15H,2-8,10,14H2,1H3.
What are the key properties of 5-(aminomethyl)-2-methyl-N-(2-piperidin-1-ylethyl)furan-3-sulfonamide?
5-(aminomethyl)-2-methyl-N-(2-piperidin-1-ylethyl)furan-3-sulfonamide has a molecular weight of 301.41 g/mol, XLogP of 0.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-methyl-N-(2-piperidin-1-ylethyl)furan-3-sulfonamide is sourced from PubChem (CID 106049664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).