N-(1-aminohexan-2-yl)-5-(methylsulfonylmethyl)furan-2-carboxamide

C13H22N2O4S — CID 119665668

IUPACN-(1-aminohexan-2-yl)-5-(methylsulfonylmethyl)furan-2-carboxamide
SMILESCCCCC(CN)NC(=O)c1ccc(CS(C)(=O)=O)o1
InChIInChI=1S/C13H22N2O4S/c1-3-4-5-10(8-14)15-13(16)12-7-6-11(19-12)9-20(2,17)18/h6-7,10H,3-5,8-9,14H2,1-2H3,(H,15,16)
InChIKeyZDQBGKVUGXPJJD-UHFFFAOYSA-N
MW302.40 g/mol
LogP1.07
Rot. Bonds8

About N-(1-aminohexan-2-yl)-5-(methylsulfonylmethyl)furan-2-carboxamide

N-(1-aminohexan-2-yl)-5-(methylsulfonylmethyl)furan-2-carboxamide (PubChem CID 119665668) has the molecular formula C13H22N2O4S and a molecular weight of 302.40 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-5-(methylsulfonylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-5-(methylsulfonylmethyl)furan-2-carboxamide
PubChem CID119665668
Molecular FormulaC13H22N2O4S
Molecular Weight302.40 g/mol
Exact Mass302.13
IUPAC NameN-(1-aminohexan-2-yl)-5-(methylsulfonylmethyl)furan-2-carboxamide
SMILESCCCCC(CN)NC(=O)c1ccc(CS(C)(=O)=O)o1
InChIInChI=1S/C13H22N2O4S/c1-3-4-5-10(8-14)15-13(16)12-7-6-11(19-12)9-20(2,17)18/h6-7,10H,3-5,8-9,14H2,1-2H3,(H,15,16)
InChIKeyZDQBGKVUGXPJJD-UHFFFAOYSA-N
XLogP1.07
TPSA102.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(1-aminohexan-2-yl)-5-(methylsulfonylmethyl)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

N-(1-aminohexan-2-yl)-5-(methanesulfonamidomethyl)furan-2-carboxamide;hydrochloride
CID 119667798
N-(1-aminohexan-2-yl)-5-sulfamoylfuran-2-carboxamide;hydrochloride
CID 119665591
N-(2-amino-1-cyclohexylethyl)-5-(methylsulfonylmethyl)furan-2-carboxamide
CID 119589648
N-(1-aminohexan-2-yl)-5-(2-fluorophenyl)furan-2-carboxamide
CID 119665414
2-amino-N-(1-aminohexan-2-yl)benzamide
CID 122080973
N-(1-aminohexan-2-yl)-2-methylsulfonylbenzamide
CID 119665949
N-[(1R)-1-(3,5-dimethylphenyl)ethyl]-5-(methylsulfonylmethyl)furan-2-carboxamide
CID 95615306
N-(1-aminohexan-2-yl)-4-[(carbamoylamino)methyl]benzamide
CID 119665299
N-(1-aminohexan-2-yl)-2-ethylsulfonylbenzamide;hydrochloride
CID 119667537
N-(1-aminohexan-2-yl)-2-methyl-1H-pyrrole-3-carboxamide
CID 119668324
N-(1-aminohexan-2-yl)-3,5-dimethylbenzamide
CID 80697654
N-(1-aminohexan-2-yl)-1H-pyrrole-2-carboxamide
CID 80697811

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-5-(methylsulfonylmethyl)furan-2-carboxamide?
The IUPAC name of N-(1-aminohexan-2-yl)-5-(methylsulfonylmethyl)furan-2-carboxamide (CID 119665668) is N-(1-aminohexan-2-yl)-5-(methylsulfonylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-(1-aminohexan-2-yl)-5-(methylsulfonylmethyl)furan-2-carboxamide?
The canonical SMILES for N-(1-aminohexan-2-yl)-5-(methylsulfonylmethyl)furan-2-carboxamide is CCCCC(CN)NC(=O)c1ccc(CS(C)(=O)=O)o1.
What is the InChIKey of N-(1-aminohexan-2-yl)-5-(methylsulfonylmethyl)furan-2-carboxamide?
The InChIKey is ZDQBGKVUGXPJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4S/c1-3-4-5-10(8-14)15-13(16)12-7-6-11(19-12)9-20(2,17)18/h6-7,10H,3-5,8-9,14H2,1-2H3,(H,15,16).
What are the key properties of N-(1-aminohexan-2-yl)-5-(methylsulfonylmethyl)furan-2-carboxamide?
N-(1-aminohexan-2-yl)-5-(methylsulfonylmethyl)furan-2-carboxamide has a molecular weight of 302.40 g/mol, XLogP of 1.07, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-5-(methylsulfonylmethyl)furan-2-carboxamide is sourced from PubChem (CID 119665668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).