[2-(aminomethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone

C10H13IN2OS — CID 81482957

IUPAC[2-(aminomethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone
SMILESNCC1CCCN1C(=O)c1csc(I)c1
InChIInChI=1S/C10H13IN2OS/c11-9-4-7(6-15-9)10(14)13-3-1-2-8(13)5-12/h4,6,8H,1-3,5,12H2
InChIKeyAINGLBZXENYOIW-UHFFFAOYSA-N
MW336.20 g/mol
LogP1.92
Rot. Bonds2

About [2-(aminomethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone

[2-(aminomethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone (PubChem CID 81482957) has the molecular formula C10H13IN2OS and a molecular weight of 336.20 g/mol. Its IUPAC name is [2-(aminomethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone
PubChem CID81482957
Molecular FormulaC10H13IN2OS
Molecular Weight336.20 g/mol
Exact Mass335.98
IUPAC Name[2-(aminomethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone
SMILESNCC1CCCN1C(=O)c1csc(I)c1
InChIInChI=1S/C10H13IN2OS/c11-9-4-7(6-15-9)10(14)13-3-1-2-8(13)5-12/h4,6,8H,1-3,5,12H2
InChIKeyAINGLBZXENYOIW-UHFFFAOYSA-N
XLogP1.92
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.20
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze [2-(aminomethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone 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

[2-(aminomethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone;hydrochloride
CID 119631709
[2-(aminomethyl)pyrrolidin-1-yl]-(4-bromothiophen-2-yl)methanone
CID 119631128
ethyl 1-(5-iodothiophene-3-carbonyl)pyrrolidine-2-carboxylate
CID 79693514
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-phenylmethanone
CID 28706917
[3-(aminomethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone;hydrochloride
CID 119484110
(5-iodothiophen-3-yl)-(2-phenylpyrrolidin-1-yl)methanone
CID 78949928
4-[4-[2-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 143191807
[2-(aminomethyl)pyrrolidin-1-yl]-(4-bromophenyl)methanone
CID 66861500
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-(3-fluoro-5-methylphenyl)methanone
CID 124576168
[2-(aminomethyl)pyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 115312082
5-[(2R)-2-(aminomethyl)pyrrolidine-1-carbonyl]-N-methylthiophene-3-sulfonamide
CID 124595434
(3-bromopiperidin-1-yl)-(5-iodothiophen-3-yl)methanone
CID 80660863

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone?
The IUPAC name of [2-(aminomethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone (CID 81482957) is [2-(aminomethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone.
What is the SMILES notation for [2-(aminomethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone?
The canonical SMILES for [2-(aminomethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone is NCC1CCCN1C(=O)c1csc(I)c1.
What is the InChIKey of [2-(aminomethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone?
The InChIKey is AINGLBZXENYOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13IN2OS/c11-9-4-7(6-15-9)10(14)13-3-1-2-8(13)5-12/h4,6,8H,1-3,5,12H2.
What are the key properties of [2-(aminomethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone?
[2-(aminomethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone has a molecular weight of 336.20 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone is sourced from PubChem (CID 81482957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).