N-[2-[cyclopropyl(methyl)amino]ethyl]-5-(methylaminomethyl)furan-2-sulfonamide

C12H21N3O3S — CID 106062802

IUPACN-[2-[cyclopropyl(methyl)amino]ethyl]-5-(methylaminomethyl)furan-2-sulfonamide
SMILESCNCc1ccc(S(=O)(=O)NCCN(C)C2CC2)o1
InChIInChI=1S/C12H21N3O3S/c1-13-9-11-5-6-12(18-11)19(16,17)14-7-8-15(2)10-3-4-10/h5-6,10,13-14H,3-4,7-9H2,1-2H3
InChIKeyYGILTXSPGYXOIB-UHFFFAOYSA-N
MW287.38 g/mol
LogP0.37
Rot. Bonds8

About N-[2-[cyclopropyl(methyl)amino]ethyl]-5-(methylaminomethyl)furan-2-sulfonamide

N-[2-[cyclopropyl(methyl)amino]ethyl]-5-(methylaminomethyl)furan-2-sulfonamide (PubChem CID 106062802) has the molecular formula C12H21N3O3S and a molecular weight of 287.38 g/mol. Its IUPAC name is N-[2-[cyclopropyl(methyl)amino]ethyl]-5-(methylaminomethyl)furan-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[cyclopropyl(methyl)amino]ethyl]-5-(methylaminomethyl)furan-2-sulfonamide
PubChem CID106062802
Molecular FormulaC12H21N3O3S
Molecular Weight287.38 g/mol
Exact Mass287.13
IUPAC NameN-[2-[cyclopropyl(methyl)amino]ethyl]-5-(methylaminomethyl)furan-2-sulfonamide
SMILESCNCc1ccc(S(=O)(=O)NCCN(C)C2CC2)o1
InChIInChI=1S/C12H21N3O3S/c1-13-9-11-5-6-12(18-11)19(16,17)14-7-8-15(2)10-3-4-10/h5-6,10,13-14H,3-4,7-9H2,1-2H3
InChIKeyYGILTXSPGYXOIB-UHFFFAOYSA-N
XLogP0.37
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[cyclopropyl(ethyl)amino]ethyl]-5-(methylaminomethyl)furan-2-sulfonamide
CID 106094078
5-(methylaminomethyl)-N-[2-(methylsulfamoyl)ethyl]furan-2-sulfonamide
CID 106342936
2-bromo-N-[2-[cyclopropyl(methyl)amino]ethyl]-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106062831
N-[2-[cyclopropyl(methyl)amino]ethyl]-3-(methylaminomethyl)benzenesulfonamide
CID 106062682
N-(4-hydroxypentyl)-5-(methylaminomethyl)furan-2-sulfonamide
CID 106137737
2-amino-6-chloro-N-[2-[cyclopropyl(methyl)amino]ethyl]benzenesulfonamide
CID 62977744
5-(methylaminomethyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]furan-2-sulfonamide
CID 80686304
N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methylbenzenesulfonamide
CID 47813755
2-bromo-N-[2-[cyclopropyl(ethyl)amino]ethyl]-5-(methylaminomethyl)furan-3-sulfonamide
CID 106094069
3-amino-5-chloro-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methylbenzenesulfonamide
CID 62977381
4-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]benzenesulfonamide
CID 62975510
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-(methylaminomethyl)furan-2-sulfonamide
CID 115366259

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclopropyl(methyl)amino]ethyl]-5-(methylaminomethyl)furan-2-sulfonamide?
The IUPAC name of N-[2-[cyclopropyl(methyl)amino]ethyl]-5-(methylaminomethyl)furan-2-sulfonamide (CID 106062802) is N-[2-[cyclopropyl(methyl)amino]ethyl]-5-(methylaminomethyl)furan-2-sulfonamide.
What is the SMILES notation for N-[2-[cyclopropyl(methyl)amino]ethyl]-5-(methylaminomethyl)furan-2-sulfonamide?
The canonical SMILES for N-[2-[cyclopropyl(methyl)amino]ethyl]-5-(methylaminomethyl)furan-2-sulfonamide is CNCc1ccc(S(=O)(=O)NCCN(C)C2CC2)o1.
What is the InChIKey of N-[2-[cyclopropyl(methyl)amino]ethyl]-5-(methylaminomethyl)furan-2-sulfonamide?
The InChIKey is YGILTXSPGYXOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-13-9-11-5-6-12(18-11)19(16,17)14-7-8-15(2)10-3-4-10/h5-6,10,13-14H,3-4,7-9H2,1-2H3.
What are the key properties of N-[2-[cyclopropyl(methyl)amino]ethyl]-5-(methylaminomethyl)furan-2-sulfonamide?
N-[2-[cyclopropyl(methyl)amino]ethyl]-5-(methylaminomethyl)furan-2-sulfonamide has a molecular weight of 287.38 g/mol, XLogP of 0.37, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclopropyl(methyl)amino]ethyl]-5-(methylaminomethyl)furan-2-sulfonamide is sourced from PubChem (CID 106062802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).