3-iodo-N-[(1-methylazetidin-3-yl)methyl]thiophene-2-carboxamide

C10H13IN2OS — CID 130783846

IUPAC3-iodo-N-[(1-methylazetidin-3-yl)methyl]thiophene-2-carboxamide
SMILESCN1CC(CNC(=O)c2sccc2I)C1
InChIInChI=1S/C10H13IN2OS/c1-13-5-7(6-13)4-12-10(14)9-8(11)2-3-15-9/h2-3,7H,4-6H2,1H3,(H,12,14)
InChIKeyPUOWFCMMYQGMMU-UHFFFAOYSA-N
MW336.20 g/mol
LogP1.64
Rot. Bonds3

About 3-iodo-N-[(1-methylazetidin-3-yl)methyl]thiophene-2-carboxamide

3-iodo-N-[(1-methylazetidin-3-yl)methyl]thiophene-2-carboxamide (PubChem CID 130783846) has the molecular formula C10H13IN2OS and a molecular weight of 336.20 g/mol. Its IUPAC name is 3-iodo-N-[(1-methylazetidin-3-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-iodo-N-[(1-methylazetidin-3-yl)methyl]thiophene-2-carboxamide
PubChem CID130783846
Molecular FormulaC10H13IN2OS
Molecular Weight336.20 g/mol
Exact Mass335.98
IUPAC Name3-iodo-N-[(1-methylazetidin-3-yl)methyl]thiophene-2-carboxamide
SMILESCN1CC(CNC(=O)c2sccc2I)C1
InChIInChI=1S/C10H13IN2OS/c1-13-5-7(6-13)4-12-10(14)9-8(11)2-3-15-9/h2-3,7H,4-6H2,1H3,(H,12,14)
InChIKeyPUOWFCMMYQGMMU-UHFFFAOYSA-N
XLogP1.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.20
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[[(2S)-1,4-dimethylpiperazin-2-yl]methyl]thiophene-2-carboxamide
CID 129486680
N-(cyclobutylmethyl)-3-methylthiophene-2-carboxamide
CID 94169217
N-hydroxy-3-iodothiophene-2-carboxamide
CID 130576418
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-ethylthiophene-2-carboxamide
CID 60567051
N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 63897685
3-amino-N-[(4-ethylcyclohexyl)methyl]thiophene-2-carboxamide
CID 61118488
N-(cyclopentylmethyl)-3-(methoxymethyl)thiophene-2-carboxamide
CID 75448549
3-iodo-N-(2-methylcyclobutyl)thiophene-2-carboxamide
CID 130576413
N-[[1-(cyanomethyl)piperidin-4-yl]methyl]-3-methoxythiophene-2-carboxamide
CID 71980194
3-iodo-N-(1,1,1-trifluoropropan-2-yl)thiophene-2-carboxamide
CID 130805140
3-methyl-N-(oxiran-2-ylmethyl)thiophene-2-carboxamide
CID 102548440
3-methyl-N-(pyrrolidin-3-ylmethyl)thiophene-2-carboxamide;hydrochloride
CID 71638244

Frequently Asked Questions

What is the IUPAC name of 3-iodo-N-[(1-methylazetidin-3-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of 3-iodo-N-[(1-methylazetidin-3-yl)methyl]thiophene-2-carboxamide (CID 130783846) is 3-iodo-N-[(1-methylazetidin-3-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-iodo-N-[(1-methylazetidin-3-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 3-iodo-N-[(1-methylazetidin-3-yl)methyl]thiophene-2-carboxamide is CN1CC(CNC(=O)c2sccc2I)C1.
What is the InChIKey of 3-iodo-N-[(1-methylazetidin-3-yl)methyl]thiophene-2-carboxamide?
The InChIKey is PUOWFCMMYQGMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13IN2OS/c1-13-5-7(6-13)4-12-10(14)9-8(11)2-3-15-9/h2-3,7H,4-6H2,1H3,(H,12,14).
What are the key properties of 3-iodo-N-[(1-methylazetidin-3-yl)methyl]thiophene-2-carboxamide?
3-iodo-N-[(1-methylazetidin-3-yl)methyl]thiophene-2-carboxamide has a molecular weight of 336.20 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-N-[(1-methylazetidin-3-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 130783846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).