N-(cyclobutylmethyl)-N-ethyl-5-(propylaminomethyl)furan-2-sulfonamide

C15H26N2O3S — CID 107402614

IUPACN-(cyclobutylmethyl)-N-ethyl-5-(propylaminomethyl)furan-2-sulfonamide
SMILESCCCNCc1ccc(S(=O)(=O)N(CC)CC2CCC2)o1
InChIInChI=1S/C15H26N2O3S/c1-3-10-16-11-14-8-9-15(20-14)21(18,19)17(4-2)12-13-6-5-7-13/h8-9,13,16H,3-7,10-12H2,1-2H3
InChIKeyUDCYFKSYGHSQTN-UHFFFAOYSA-N
MW314.45 g/mol
LogP2.59
Rot. Bonds9

About N-(cyclobutylmethyl)-N-ethyl-5-(propylaminomethyl)furan-2-sulfonamide

N-(cyclobutylmethyl)-N-ethyl-5-(propylaminomethyl)furan-2-sulfonamide (PubChem CID 107402614) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-N-ethyl-5-(propylaminomethyl)furan-2-sulfonamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-N-ethyl-5-(propylaminomethyl)furan-2-sulfonamide
PubChem CID107402614
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC NameN-(cyclobutylmethyl)-N-ethyl-5-(propylaminomethyl)furan-2-sulfonamide
SMILESCCCNCc1ccc(S(=O)(=O)N(CC)CC2CCC2)o1
InChIInChI=1S/C15H26N2O3S/c1-3-10-16-11-14-8-9-15(20-14)21(18,19)17(4-2)12-13-6-5-7-13/h8-9,13,16H,3-7,10-12H2,1-2H3
InChIKeyUDCYFKSYGHSQTN-UHFFFAOYSA-N
XLogP2.59
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(cyclobutylmethyl)-N-ethyl-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide
CID 107402616
N-[[5-[[cyclopropylmethyl(propan-2-yl)amino]methyl]furan-2-yl]methyl]propan-1-amine
CID 62411453
N-methyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)furan-2-sulfonamide
CID 115988547
N-ethyl-5-(ethylaminomethyl)-N-(2-methylbutyl)furan-2-sulfonamide
CID 79470714
4-amino-3-chloro-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide
CID 107399642
N-(cyclobutylmethyl)-N-ethyl-4-(propylamino)pyridine-3-sulfonamide
CID 107401225
N-(cyclobutylmethyl)-N-ethyl-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide
CID 107402674
N-(cyclobutylmethyl)-2-methyl-5-(propylaminomethyl)furan-3-sulfonamide
CID 106025005
2-amino-N-(cyclobutylmethyl)-N-ethyl-5-fluorobenzenesulfonamide
CID 107397005
N-[[5-[[cyclobutylmethyl(ethyl)amino]methyl]thiophen-2-yl]methyl]propan-1-amine
CID 107557690
5-[[(1,1-dioxothiolan-2-yl)methylamino]methyl]-N,N-dimethylfuran-2-sulfonamide
CID 81042035
N-[[5-[[methyl(oxan-2-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine
CID 62429059

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-N-ethyl-5-(propylaminomethyl)furan-2-sulfonamide?
The IUPAC name of N-(cyclobutylmethyl)-N-ethyl-5-(propylaminomethyl)furan-2-sulfonamide (CID 107402614) is N-(cyclobutylmethyl)-N-ethyl-5-(propylaminomethyl)furan-2-sulfonamide.
What is the SMILES notation for N-(cyclobutylmethyl)-N-ethyl-5-(propylaminomethyl)furan-2-sulfonamide?
The canonical SMILES for N-(cyclobutylmethyl)-N-ethyl-5-(propylaminomethyl)furan-2-sulfonamide is CCCNCc1ccc(S(=O)(=O)N(CC)CC2CCC2)o1.
What is the InChIKey of N-(cyclobutylmethyl)-N-ethyl-5-(propylaminomethyl)furan-2-sulfonamide?
The InChIKey is UDCYFKSYGHSQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-3-10-16-11-14-8-9-15(20-14)21(18,19)17(4-2)12-13-6-5-7-13/h8-9,13,16H,3-7,10-12H2,1-2H3.
What are the key properties of N-(cyclobutylmethyl)-N-ethyl-5-(propylaminomethyl)furan-2-sulfonamide?
N-(cyclobutylmethyl)-N-ethyl-5-(propylaminomethyl)furan-2-sulfonamide has a molecular weight of 314.45 g/mol, XLogP of 2.59, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-N-ethyl-5-(propylaminomethyl)furan-2-sulfonamide is sourced from PubChem (CID 107402614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).