N-(3,3-dimethylcyclopentyl)-5-(ethylaminomethyl)-2-methylfuran-3-sulfonamide

C15H26N2O3S — CID 114552223

IUPACN-(3,3-dimethylcyclopentyl)-5-(ethylaminomethyl)-2-methylfuran-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)NC2CCC(C)(C)C2)c(C)o1
InChIInChI=1S/C15H26N2O3S/c1-5-16-10-13-8-14(11(2)20-13)21(18,19)17-12-6-7-15(3,4)9-12/h8,12,16-17H,5-7,9-10H2,1-4H3
InChIKeyJUAMBOSOXKGJBO-UHFFFAOYSA-N
MW314.45 g/mol
LogP2.55
Rot. Bonds6

About N-(3,3-dimethylcyclopentyl)-5-(ethylaminomethyl)-2-methylfuran-3-sulfonamide

N-(3,3-dimethylcyclopentyl)-5-(ethylaminomethyl)-2-methylfuran-3-sulfonamide (PubChem CID 114552223) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is N-(3,3-dimethylcyclopentyl)-5-(ethylaminomethyl)-2-methylfuran-3-sulfonamide.

Molecular Properties

Compound NameN-(3,3-dimethylcyclopentyl)-5-(ethylaminomethyl)-2-methylfuran-3-sulfonamide
PubChem CID114552223
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC NameN-(3,3-dimethylcyclopentyl)-5-(ethylaminomethyl)-2-methylfuran-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)NC2CCC(C)(C)C2)c(C)o1
InChIInChI=1S/C15H26N2O3S/c1-5-16-10-13-8-14(11(2)20-13)21(18,19)17-12-6-7-15(3,4)9-12/h8,12,16-17H,5-7,9-10H2,1-4H3
InChIKeyJUAMBOSOXKGJBO-UHFFFAOYSA-N
XLogP2.55
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3,3-dimethylcyclopentyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 114543702
N-(3,3-dimethylcyclopentyl)-4-(ethylaminomethyl)benzenesulfonamide
CID 114548187
5-(ethylaminomethyl)-2-methyl-N-[(2-methylcyclopentyl)methyl]furan-3-sulfonamide
CID 106088321
2-methyl-5-(propylaminomethyl)-N-(thiolan-3-yl)furan-3-sulfonamide
CID 106086445
N-[[4-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-5-methylfuran-2-yl]methyl]ethanamine
CID 79187132
N-(3,3-dimethylcyclopentyl)-2-(ethylamino)benzenesulfonamide
CID 114551008
2-methyl-5-(propylaminomethyl)-N-(thian-3-yl)furan-3-sulfonamide
CID 106081609
N-(3,3-dimethylcyclopentyl)-2,5-dimethyl-4-(methylaminomethyl)furan-3-sulfonamide
CID 114552199
2-bromo-5-(ethylaminomethyl)-N-(thian-4-yl)furan-3-sulfonamide
CID 106084419
N-(3,3-dimethylcyclopentyl)-2-hydroxybenzenesulfonamide
CID 114548715
N-(3,3-dimethylcyclopentyl)-3,5-dimethylbenzenesulfonamide
CID 114545447
5-(ethylaminomethyl)-2-methyl-N-[2-(oxolan-3-yl)ethyl]furan-3-sulfonamide
CID 106092877

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylcyclopentyl)-5-(ethylaminomethyl)-2-methylfuran-3-sulfonamide?
The IUPAC name of N-(3,3-dimethylcyclopentyl)-5-(ethylaminomethyl)-2-methylfuran-3-sulfonamide (CID 114552223) is N-(3,3-dimethylcyclopentyl)-5-(ethylaminomethyl)-2-methylfuran-3-sulfonamide.
What is the SMILES notation for N-(3,3-dimethylcyclopentyl)-5-(ethylaminomethyl)-2-methylfuran-3-sulfonamide?
The canonical SMILES for N-(3,3-dimethylcyclopentyl)-5-(ethylaminomethyl)-2-methylfuran-3-sulfonamide is CCNCc1cc(S(=O)(=O)NC2CCC(C)(C)C2)c(C)o1.
What is the InChIKey of N-(3,3-dimethylcyclopentyl)-5-(ethylaminomethyl)-2-methylfuran-3-sulfonamide?
The InChIKey is JUAMBOSOXKGJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-5-16-10-13-8-14(11(2)20-13)21(18,19)17-12-6-7-15(3,4)9-12/h8,12,16-17H,5-7,9-10H2,1-4H3.
What are the key properties of N-(3,3-dimethylcyclopentyl)-5-(ethylaminomethyl)-2-methylfuran-3-sulfonamide?
N-(3,3-dimethylcyclopentyl)-5-(ethylaminomethyl)-2-methylfuran-3-sulfonamide has a molecular weight of 314.45 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylcyclopentyl)-5-(ethylaminomethyl)-2-methylfuran-3-sulfonamide is sourced from PubChem (CID 114552223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).