5-(aminomethyl)-N-(2-ethyl-2-methylsulfanylbutyl)furan-2-carboxamide

C13H22N2O2S — CID 103812551

IUPAC5-(aminomethyl)-N-(2-ethyl-2-methylsulfanylbutyl)furan-2-carboxamide
SMILESCCC(CC)(CNC(=O)c1ccc(CN)o1)SC
InChIInChI=1S/C13H22N2O2S/c1-4-13(5-2,18-3)9-15-12(16)11-7-6-10(8-14)17-11/h6-7H,4-5,8-9,14H2,1-3H3,(H,15,16)
InChIKeyAUVWXTWNTQOALO-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.39
Rot. Bonds7

About 5-(aminomethyl)-N-(2-ethyl-2-methylsulfanylbutyl)furan-2-carboxamide

5-(aminomethyl)-N-(2-ethyl-2-methylsulfanylbutyl)furan-2-carboxamide (PubChem CID 103812551) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(2-ethyl-2-methylsulfanylbutyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(2-ethyl-2-methylsulfanylbutyl)furan-2-carboxamide
PubChem CID103812551
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name5-(aminomethyl)-N-(2-ethyl-2-methylsulfanylbutyl)furan-2-carboxamide
SMILESCCC(CC)(CNC(=O)c1ccc(CN)o1)SC
InChIInChI=1S/C13H22N2O2S/c1-4-13(5-2,18-3)9-15-12(16)11-7-6-10(8-14)17-11/h6-7H,4-5,8-9,14H2,1-3H3,(H,15,16)
InChIKeyAUVWXTWNTQOALO-UHFFFAOYSA-N
XLogP2.39
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(aminomethyl)-N-(2-ethyl-2-methylsulfanylbutyl)furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(aminomethyl)-N-(3-methylpentan-3-yl)furan-2-carboxamide
CID 103811384
5-(aminomethyl)-N-octylfuran-2-carboxamide
CID 115567865
2-amino-N-(2-ethyl-2-methylsulfanylbutyl)benzamide
CID 103822118
5-(aminomethyl)-N-(3-hydroxypentyl)furan-2-carboxamide
CID 115739064
2-bromo-N-(2-ethyl-2-methylsulfanylbutyl)furan-3-carboxamide
CID 106898975
5-(aminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]furan-2-carboxamide
CID 103811606
5-(aminomethyl)-N-(3-propoxypropyl)furan-2-carboxamide
CID 82942250
2-[[[5-(aminomethyl)furan-2-carbonyl]amino]methyl]-4,4-dimethylpentanoic acid
CID 107475583
N-(2-amino-2-ethylbutyl)-5-(methanesulfonamidomethyl)furan-2-carboxamide
CID 119642867
N-[2-(aminomethyl)-2-ethylbutyl]-5-methylfuran-2-carboxamide
CID 106250802
5-(difluoromethylsulfanylmethyl)-N-(2-hydroxy-2-methylbutyl)furan-2-carboxamide
CID 65112616
5-(aminomethyl)-N-(2,3-dimethoxypropyl)furan-2-carboxamide
CID 114100067

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(2-ethyl-2-methylsulfanylbutyl)furan-2-carboxamide?
The IUPAC name of 5-(aminomethyl)-N-(2-ethyl-2-methylsulfanylbutyl)furan-2-carboxamide (CID 103812551) is 5-(aminomethyl)-N-(2-ethyl-2-methylsulfanylbutyl)furan-2-carboxamide.
What is the SMILES notation for 5-(aminomethyl)-N-(2-ethyl-2-methylsulfanylbutyl)furan-2-carboxamide?
The canonical SMILES for 5-(aminomethyl)-N-(2-ethyl-2-methylsulfanylbutyl)furan-2-carboxamide is CCC(CC)(CNC(=O)c1ccc(CN)o1)SC.
What is the InChIKey of 5-(aminomethyl)-N-(2-ethyl-2-methylsulfanylbutyl)furan-2-carboxamide?
The InChIKey is AUVWXTWNTQOALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-4-13(5-2,18-3)9-15-12(16)11-7-6-10(8-14)17-11/h6-7H,4-5,8-9,14H2,1-3H3,(H,15,16).
What are the key properties of 5-(aminomethyl)-N-(2-ethyl-2-methylsulfanylbutyl)furan-2-carboxamide?
5-(aminomethyl)-N-(2-ethyl-2-methylsulfanylbutyl)furan-2-carboxamide has a molecular weight of 270.40 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(2-ethyl-2-methylsulfanylbutyl)furan-2-carboxamide is sourced from PubChem (CID 103812551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).