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

C10H16N2O2S — CID 60810715

IUPACN-[(5-nitrothiophen-3-yl)methyl]pentan-2-amine
SMILESCCCC(C)NCc1csc([N+](=O)[O-])c1
InChIInChI=1S/C10H16N2O2S/c1-3-4-8(2)11-6-9-5-10(12(13)14)15-7-9/h5,7-8,11H,3-4,6H2,1-2H3
InChIKeyUZXLSONMZJTMKL-UHFFFAOYSA-N
MW228.32 g/mol
LogP2.93
Rot. Bonds6

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

N-[(5-nitrothiophen-3-yl)methyl]pentan-2-amine (PubChem CID 60810715) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is N-[(5-nitrothiophen-3-yl)methyl]pentan-2-amine.

Molecular Properties

Compound NameN-[(5-nitrothiophen-3-yl)methyl]pentan-2-amine
PubChem CID60810715
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC NameN-[(5-nitrothiophen-3-yl)methyl]pentan-2-amine
SMILESCCCC(C)NCc1csc([N+](=O)[O-])c1
InChIInChI=1S/C10H16N2O2S/c1-3-4-8(2)11-6-9-5-10(12(13)14)15-7-9/h5,7-8,11H,3-4,6H2,1-2H3
InChIKeyUZXLSONMZJTMKL-UHFFFAOYSA-N
XLogP2.93
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
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

(2R)-N-[(5-nitrothiophen-3-yl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 94202076
N-[(5-nitrothiophen-3-yl)methyl]butan-1-amine
CID 60811802
1-methoxy-3-methyl-N-[(5-nitrothiophen-3-yl)methyl]butan-2-amine
CID 65047245
N-[(5-nitrothiophen-3-yl)methyl]-1-pyridin-2-ylethanamine
CID 60810570
tert-butyl N-[2-[(5-nitrothiophen-3-yl)methylamino]pentyl]carbamate
CID 107253855
1-N,1-N,4-trimethyl-2-N-[(5-nitrothiophen-3-yl)methyl]pentane-1,2-diamine
CID 60812466
1-(4-ethoxyphenyl)-N-[(5-nitrothiophen-3-yl)methyl]ethanamine
CID 60811027
N-[(3-nitrophenyl)methyl]pentan-2-amine
CID 43179524
2-methyl-N-[(5-nitrothiophen-3-yl)methyl]propan-2-amine
CID 60811398
(1S)-1-(3-fluorophenyl)-N-[(5-nitrothiophen-3-yl)methyl]ethanamine
CID 81365843
N-[(5-nitrothiophen-3-yl)methyl]methanesulfonamide
CID 67290600
N-[(4-bromo-3-nitrophenyl)methyl]pentan-2-amine
CID 43223072

Frequently Asked Questions

What is the IUPAC name of N-[(5-nitrothiophen-3-yl)methyl]pentan-2-amine?
The IUPAC name of N-[(5-nitrothiophen-3-yl)methyl]pentan-2-amine (CID 60810715) is N-[(5-nitrothiophen-3-yl)methyl]pentan-2-amine.
What is the SMILES notation for N-[(5-nitrothiophen-3-yl)methyl]pentan-2-amine?
The canonical SMILES for N-[(5-nitrothiophen-3-yl)methyl]pentan-2-amine is CCCC(C)NCc1csc([N+](=O)[O-])c1.
What is the InChIKey of N-[(5-nitrothiophen-3-yl)methyl]pentan-2-amine?
The InChIKey is UZXLSONMZJTMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-3-4-8(2)11-6-9-5-10(12(13)14)15-7-9/h5,7-8,11H,3-4,6H2,1-2H3.
What are the key properties of N-[(5-nitrothiophen-3-yl)methyl]pentan-2-amine?
N-[(5-nitrothiophen-3-yl)methyl]pentan-2-amine has a molecular weight of 228.32 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]pentan-2-amine is sourced from PubChem (CID 60810715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).