[1-[(5-nitrothiophen-2-yl)methyl]pyrrolidin-2-yl]methanamine

C10H15N3O2S — CID 104869772

IUPAC[1-[(5-nitrothiophen-2-yl)methyl]pyrrolidin-2-yl]methanamine
SMILESNCC1CCCN1Cc1ccc([N+](=O)[O-])s1
InChIInChI=1S/C10H15N3O2S/c11-6-8-2-1-5-12(8)7-9-3-4-10(16-9)13(14)15/h3-4,8H,1-2,5-7,11H2
InChIKeyOBBMWEPNEGHLQM-UHFFFAOYSA-N
MW241.32 g/mol
LogP1.58
Rot. Bonds4

About [1-[(5-nitrothiophen-2-yl)methyl]pyrrolidin-2-yl]methanamine

[1-[(5-nitrothiophen-2-yl)methyl]pyrrolidin-2-yl]methanamine (PubChem CID 104869772) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is [1-[(5-nitrothiophen-2-yl)methyl]pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[(5-nitrothiophen-2-yl)methyl]pyrrolidin-2-yl]methanamine
PubChem CID104869772
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name[1-[(5-nitrothiophen-2-yl)methyl]pyrrolidin-2-yl]methanamine
SMILESNCC1CCCN1Cc1ccc([N+](=O)[O-])s1
InChIInChI=1S/C10H15N3O2S/c11-6-8-2-1-5-12(8)7-9-3-4-10(16-9)13(14)15/h3-4,8H,1-2,5-7,11H2
InChIKeyOBBMWEPNEGHLQM-UHFFFAOYSA-N
XLogP1.58
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 51.58
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'}

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Related Compounds

[1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]methanamine
CID 115311784
[1-[(5-bromothiophen-2-yl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride
CID 119927224
[1-[(4-chloro-3-nitrophenyl)methyl]pyrrolidin-2-yl]methanamine
CID 113335455
[1-[(3-bromo-5-nitrophenyl)methyl]pyrrolidin-2-yl]methanamine
CID 103351362
[1-(5-nitro-1,3-thiazol-2-yl)pyrrolidin-2-yl]methanamine
CID 102771476
[1-[2-(4-nitrophenyl)ethyl]pyrrolidin-2-yl]methanamine;hydrochloride
CID 119926955
[1-[(4-bromo-2-nitrophenyl)methyl]piperidin-2-yl]methanamine
CID 114382185
[(2S)-1-[(5-bromothiophen-2-yl)methyl]pyrrolidin-2-yl]methanol
CID 78942538
5-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]thiophene-2-carbohydrazide
CID 63582953
4-benzyl-1-[(5-nitrothiophen-2-yl)methyl]piperidine
CID 2838714
[(2S)-1-benzylpyrrolidin-2-yl]methanamine;hydrochloride
CID 22856183
[(2S)-1-[(4-iodophenyl)methyl]pyrrolidin-2-yl]methanamine
CID 90478034

Frequently Asked Questions

What is the IUPAC name of [1-[(5-nitrothiophen-2-yl)methyl]pyrrolidin-2-yl]methanamine?
The IUPAC name of [1-[(5-nitrothiophen-2-yl)methyl]pyrrolidin-2-yl]methanamine (CID 104869772) is [1-[(5-nitrothiophen-2-yl)methyl]pyrrolidin-2-yl]methanamine.
What is the SMILES notation for [1-[(5-nitrothiophen-2-yl)methyl]pyrrolidin-2-yl]methanamine?
The canonical SMILES for [1-[(5-nitrothiophen-2-yl)methyl]pyrrolidin-2-yl]methanamine is NCC1CCCN1Cc1ccc([N+](=O)[O-])s1.
What is the InChIKey of [1-[(5-nitrothiophen-2-yl)methyl]pyrrolidin-2-yl]methanamine?
The InChIKey is OBBMWEPNEGHLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c11-6-8-2-1-5-12(8)7-9-3-4-10(16-9)13(14)15/h3-4,8H,1-2,5-7,11H2.
What are the key properties of [1-[(5-nitrothiophen-2-yl)methyl]pyrrolidin-2-yl]methanamine?
[1-[(5-nitrothiophen-2-yl)methyl]pyrrolidin-2-yl]methanamine has a molecular weight of 241.32 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-nitrothiophen-2-yl)methyl]pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 104869772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).