5-(ethylaminomethyl)-2-methyl-N-[(2-methylcyclopentyl)methyl]furan-3-sulfonamide

C15H26N2O3S — CID 106088321

IUPAC5-(ethylaminomethyl)-2-methyl-N-[(2-methylcyclopentyl)methyl]furan-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)NCC2CCCC2C)c(C)o1
InChIInChI=1S/C15H26N2O3S/c1-4-16-10-14-8-15(12(3)20-14)21(18,19)17-9-13-7-5-6-11(13)2/h8,11,13,16-17H,4-7,9-10H2,1-3H3
InChIKeyOHMCCFBXZODTHR-UHFFFAOYSA-N
MW314.45 g/mol
LogP2.41
Rot. Bonds7

About 5-(ethylaminomethyl)-2-methyl-N-[(2-methylcyclopentyl)methyl]furan-3-sulfonamide

5-(ethylaminomethyl)-2-methyl-N-[(2-methylcyclopentyl)methyl]furan-3-sulfonamide (PubChem CID 106088321) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-2-methyl-N-[(2-methylcyclopentyl)methyl]furan-3-sulfonamide.

Molecular Properties

Compound Name5-(ethylaminomethyl)-2-methyl-N-[(2-methylcyclopentyl)methyl]furan-3-sulfonamide
PubChem CID106088321
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC Name5-(ethylaminomethyl)-2-methyl-N-[(2-methylcyclopentyl)methyl]furan-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)NCC2CCCC2C)c(C)o1
InChIInChI=1S/C15H26N2O3S/c1-4-16-10-14-8-15(12(3)20-14)21(18,19)17-9-13-7-5-6-11(13)2/h8,11,13,16-17H,4-7,9-10H2,1-3H3
InChIKeyOHMCCFBXZODTHR-UHFFFAOYSA-N
XLogP2.41
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(ethylaminomethyl)-N-[(2-methylcyclopentyl)methyl]furan-2-sulfonamide
CID 107421037
N-(cyclobutylmethyl)-2-methyl-5-(propylaminomethyl)furan-3-sulfonamide
CID 106025005
5-(ethylaminomethyl)-2-methyl-N-[2-(oxolan-3-yl)ethyl]furan-3-sulfonamide
CID 106092877
5-(ethylaminomethyl)-2-methyl-N-(3-methylbutyl)furan-3-sulfonamide
CID 106059106
N-[[4-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-5-methylfuran-2-yl]methyl]ethanamine
CID 79187132
2-(ethylamino)-N-[(2-methylcyclopentyl)methyl]benzenesulfonamide
CID 107420501
5-(aminomethyl)-2-methyl-N-[(2-methylcyclopentyl)methyl]thiophene-3-sulfonamide
CID 106088377
N-(3,3-dimethylcyclopentyl)-5-(ethylaminomethyl)-2-methylfuran-3-sulfonamide
CID 114552223
5-methyl-4-[(2-methylcyclopentyl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 107416766
2-methyl-5-(methylaminomethyl)-N-[(3-methylcyclopentyl)methyl]furan-3-sulfonamide
CID 106089872
5-fluoro-2-(methylaminomethyl)-N-[(2-methylcyclopentyl)methyl]benzenesulfonamide
CID 106088324
2-(methylaminomethyl)-N-[(2-methylcyclopentyl)methyl]thiophene-3-sulfonamide
CID 106088333

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-2-methyl-N-[(2-methylcyclopentyl)methyl]furan-3-sulfonamide?
The IUPAC name of 5-(ethylaminomethyl)-2-methyl-N-[(2-methylcyclopentyl)methyl]furan-3-sulfonamide (CID 106088321) is 5-(ethylaminomethyl)-2-methyl-N-[(2-methylcyclopentyl)methyl]furan-3-sulfonamide.
What is the SMILES notation for 5-(ethylaminomethyl)-2-methyl-N-[(2-methylcyclopentyl)methyl]furan-3-sulfonamide?
The canonical SMILES for 5-(ethylaminomethyl)-2-methyl-N-[(2-methylcyclopentyl)methyl]furan-3-sulfonamide is CCNCc1cc(S(=O)(=O)NCC2CCCC2C)c(C)o1.
What is the InChIKey of 5-(ethylaminomethyl)-2-methyl-N-[(2-methylcyclopentyl)methyl]furan-3-sulfonamide?
The InChIKey is OHMCCFBXZODTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-4-16-10-14-8-15(12(3)20-14)21(18,19)17-9-13-7-5-6-11(13)2/h8,11,13,16-17H,4-7,9-10H2,1-3H3.
What are the key properties of 5-(ethylaminomethyl)-2-methyl-N-[(2-methylcyclopentyl)methyl]furan-3-sulfonamide?
5-(ethylaminomethyl)-2-methyl-N-[(2-methylcyclopentyl)methyl]furan-3-sulfonamide has a molecular weight of 314.45 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-2-methyl-N-[(2-methylcyclopentyl)methyl]furan-3-sulfonamide is sourced from PubChem (CID 106088321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).