1-cyclopentyl-N-[(5-nitrofuran-2-yl)methyl]-1-thiophen-2-ylmethanamine

C15H18N2O3S — CID 43789971

IUPAC1-cyclopentyl-N-[(5-nitrofuran-2-yl)methyl]-1-thiophen-2-ylmethanamine
SMILESO=[N+]([O-])c1ccc(CNC(c2cccs2)C2CCCC2)o1
InChIInChI=1S/C15H18N2O3S/c18-17(19)14-8-7-12(20-14)10-16-15(11-4-1-2-5-11)13-6-3-9-21-13/h3,6-9,11,15-16H,1-2,4-5,10H2
InChIKeyAYYBQJIQDZJTIS-UHFFFAOYSA-N
MW306.39 g/mol
LogP4.27
Rot. Bonds6

About 1-cyclopentyl-N-[(5-nitrofuran-2-yl)methyl]-1-thiophen-2-ylmethanamine

1-cyclopentyl-N-[(5-nitrofuran-2-yl)methyl]-1-thiophen-2-ylmethanamine (PubChem CID 43789971) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 1-cyclopentyl-N-[(5-nitrofuran-2-yl)methyl]-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound Name1-cyclopentyl-N-[(5-nitrofuran-2-yl)methyl]-1-thiophen-2-ylmethanamine
PubChem CID43789971
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name1-cyclopentyl-N-[(5-nitrofuran-2-yl)methyl]-1-thiophen-2-ylmethanamine
SMILESO=[N+]([O-])c1ccc(CNC(c2cccs2)C2CCCC2)o1
InChIInChI=1S/C15H18N2O3S/c18-17(19)14-8-7-12(20-14)10-16-15(11-4-1-2-5-11)13-6-3-9-21-13/h3,6-9,11,15-16H,1-2,4-5,10H2
InChIKeyAYYBQJIQDZJTIS-UHFFFAOYSA-N
XLogP4.27
TPSA68.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-cyclopentyl-N-[(5-nitrofuran-2-yl)methyl]-1-thiophen-2-ylmethanamine 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-[(5-bromofuran-2-yl)methyl]-1-cyclopentyl-1-thiophen-2-ylmethanamine
CID 43740577
N-[(S)-cyclopentyl(thiophen-2-yl)methyl]-5-nitrofuran-2-carboxamide
CID 39613699
1-cyclopentyl-N-(furan-2-ylmethyl)-1-thiophen-2-ylmethanamine
CID 43740567
N-benzyl-1-cyclopentyl-1-thiophen-2-ylmethanamine
CID 43740592
N-[cyclopentyl(thiophen-2-yl)methyl]-2-nitroaniline
CID 43785516
1-cyclopentyl-N-[(2-fluorophenyl)methyl]-1-thiophen-2-ylmethanamine
CID 43740648
1-cyclopentyl-N-[(3,5-difluorophenyl)methyl]-1-thiophen-2-ylmethanamine
CID 103851306
4-[[[cyclopentyl(thiophen-2-yl)methyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106380194
3-[[cyclopentyl(thiophen-2-yl)methyl]amino]-2-hydroxypropanamide
CID 114153572
1-cyclopentyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-thiophen-2-ylmethanamine
CID 43740637
1-cyclopentyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-1-thiophen-2-ylmethanamine
CID 62741804
1-cyclopentyl-N-[(2-methylcyclopentyl)methyl]-1-thiophen-2-ylmethanamine
CID 107417281

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[(5-nitrofuran-2-yl)methyl]-1-thiophen-2-ylmethanamine?
The IUPAC name of 1-cyclopentyl-N-[(5-nitrofuran-2-yl)methyl]-1-thiophen-2-ylmethanamine (CID 43789971) is 1-cyclopentyl-N-[(5-nitrofuran-2-yl)methyl]-1-thiophen-2-ylmethanamine.
What is the SMILES notation for 1-cyclopentyl-N-[(5-nitrofuran-2-yl)methyl]-1-thiophen-2-ylmethanamine?
The canonical SMILES for 1-cyclopentyl-N-[(5-nitrofuran-2-yl)methyl]-1-thiophen-2-ylmethanamine is O=[N+]([O-])c1ccc(CNC(c2cccs2)C2CCCC2)o1.
What is the InChIKey of 1-cyclopentyl-N-[(5-nitrofuran-2-yl)methyl]-1-thiophen-2-ylmethanamine?
The InChIKey is AYYBQJIQDZJTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c18-17(19)14-8-7-12(20-14)10-16-15(11-4-1-2-5-11)13-6-3-9-21-13/h3,6-9,11,15-16H,1-2,4-5,10H2.
What are the key properties of 1-cyclopentyl-N-[(5-nitrofuran-2-yl)methyl]-1-thiophen-2-ylmethanamine?
1-cyclopentyl-N-[(5-nitrofuran-2-yl)methyl]-1-thiophen-2-ylmethanamine has a molecular weight of 306.39 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[(5-nitrofuran-2-yl)methyl]-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 43789971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).