N-[(5-nitrothiophen-3-yl)methyl]-2-propylcyclopropan-1-amine

C11H16N2O2S — CID 103711476

IUPACN-[(5-nitrothiophen-3-yl)methyl]-2-propylcyclopropan-1-amine
SMILESCCCC1CC1NCc1csc([N+](=O)[O-])c1
InChIInChI=1S/C11H16N2O2S/c1-2-3-9-5-10(9)12-6-8-4-11(13(14)15)16-7-8/h4,7,9-10,12H,2-3,5-6H2,1H3
InChIKeyVFIUDSQOKQEZSI-UHFFFAOYSA-N
MW240.33 g/mol
LogP2.93
Rot. Bonds6

About N-[(5-nitrothiophen-3-yl)methyl]-2-propylcyclopropan-1-amine

N-[(5-nitrothiophen-3-yl)methyl]-2-propylcyclopropan-1-amine (PubChem CID 103711476) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is N-[(5-nitrothiophen-3-yl)methyl]-2-propylcyclopropan-1-amine.

Molecular Properties

Compound NameN-[(5-nitrothiophen-3-yl)methyl]-2-propylcyclopropan-1-amine
PubChem CID103711476
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC NameN-[(5-nitrothiophen-3-yl)methyl]-2-propylcyclopropan-1-amine
SMILESCCCC1CC1NCc1csc([N+](=O)[O-])c1
InChIInChI=1S/C11H16N2O2S/c1-2-3-9-5-10(9)12-6-8-4-11(13(14)15)16-7-8/h4,7,9-10,12H,2-3,5-6H2,1H3
InChIKeyVFIUDSQOKQEZSI-UHFFFAOYSA-N
XLogP2.93
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,4-dimethyl-N-[(5-nitrothiophen-3-yl)methyl]cyclohexan-1-amine
CID 64742854
N-[(2-nitrophenyl)methyl]-2-propylcyclopropan-1-amine
CID 103711632
N-[(5-nitrothiophen-3-yl)methyl]butan-1-amine
CID 60811802
3-methoxy-2,2-dimethyl-N-[(5-nitrothiophen-3-yl)methyl]cyclobutan-1-amine
CID 113253068
N-[(5-nitrothiophen-3-yl)methyl]-2,3-dihydro-1H-inden-2-amine
CID 103830677
N-[(5-nitrothiophen-3-yl)methyl]pentan-2-amine
CID 60810715
2-methyl-N-[(5-nitrothiophen-3-yl)methyl]propan-2-amine
CID 60811398
N-[(5-nitrothiophen-3-yl)methyl]methanesulfonamide
CID 67290600
N-[(5-nitrothiophen-3-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 60811697
N-[(4-methylphenyl)methyl]-2-propylcyclopropan-1-amine
CID 103711454
N-[(3,4-dimethylphenyl)methyl]-2-propylcyclopropan-1-amine
CID 103711594
2-cyclohexyl-N-[(5-nitrothiophen-3-yl)methyl]ethanamine
CID 54932019

Frequently Asked Questions

What is the IUPAC name of N-[(5-nitrothiophen-3-yl)methyl]-2-propylcyclopropan-1-amine?
The IUPAC name of N-[(5-nitrothiophen-3-yl)methyl]-2-propylcyclopropan-1-amine (CID 103711476) is N-[(5-nitrothiophen-3-yl)methyl]-2-propylcyclopropan-1-amine.
What is the SMILES notation for N-[(5-nitrothiophen-3-yl)methyl]-2-propylcyclopropan-1-amine?
The canonical SMILES for N-[(5-nitrothiophen-3-yl)methyl]-2-propylcyclopropan-1-amine is CCCC1CC1NCc1csc([N+](=O)[O-])c1.
What is the InChIKey of N-[(5-nitrothiophen-3-yl)methyl]-2-propylcyclopropan-1-amine?
The InChIKey is VFIUDSQOKQEZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-2-3-9-5-10(9)12-6-8-4-11(13(14)15)16-7-8/h4,7,9-10,12H,2-3,5-6H2,1H3.
What are the key properties of N-[(5-nitrothiophen-3-yl)methyl]-2-propylcyclopropan-1-amine?
N-[(5-nitrothiophen-3-yl)methyl]-2-propylcyclopropan-1-amine has a molecular weight of 240.33 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-nitrothiophen-3-yl)methyl]-2-propylcyclopropan-1-amine is sourced from PubChem (CID 103711476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).