5-iodo-N-[2-(methylamino)propyl]thiophene-3-carboxamide;hydrochloride

C9H14ClIN2OS — CID 120829270

IUPAC5-iodo-N-[2-(methylamino)propyl]thiophene-3-carboxamide;hydrochloride
SMILESCNC(C)CNC(=O)c1csc(I)c1.Cl
InChIInChI=1S/C9H13IN2OS.ClH/c1-6(11-2)4-12-9(13)7-3-8(10)14-5-7;/h3,5-6,11H,4H2,1-2H3,(H,12,13);1H
InChIKeyUFUHVXLEHFVSBJ-UHFFFAOYSA-N
MW360.65 g/mol
LogP2.11
Rot. Bonds4

About 5-iodo-N-[2-(methylamino)propyl]thiophene-3-carboxamide;hydrochloride

5-iodo-N-[2-(methylamino)propyl]thiophene-3-carboxamide;hydrochloride (PubChem CID 120829270) has the molecular formula C9H14ClIN2OS and a molecular weight of 360.65 g/mol. Its IUPAC name is 5-iodo-N-[2-(methylamino)propyl]thiophene-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-iodo-N-[2-(methylamino)propyl]thiophene-3-carboxamide;hydrochloride
PubChem CID120829270
Molecular FormulaC9H14ClIN2OS
Molecular Weight360.65 g/mol
Exact Mass359.96
IUPAC Name5-iodo-N-[2-(methylamino)propyl]thiophene-3-carboxamide;hydrochloride
SMILESCNC(C)CNC(=O)c1csc(I)c1.Cl
InChIInChI=1S/C9H13IN2OS.ClH/c1-6(11-2)4-12-9(13)7-3-8(10)14-5-7;/h3,5-6,11H,4H2,1-2H3,(H,12,13);1H
InChIKeyUFUHVXLEHFVSBJ-UHFFFAOYSA-N
XLogP2.11
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.65
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxypropyl)-5-iodothiophene-3-carboxamide
CID 79693045
5-iodo-N-[2-methyl-3-(methylamino)propyl]thiophene-3-carboxamide
CID 81478928
3-[(5-iodothiophene-3-carbonyl)amino]-2-methoxypropanoic acid
CID 106107566
N-(2-amino-3-hydroxybutyl)-5-iodothiophene-3-carboxamide
CID 79693174
5-iodo-N-(2-phenylpropyl)thiophene-3-carboxamide
CID 78948957
N-[2-(methylamino)propyl]-5-nitrothiophene-3-carboxamide
CID 120827836
N-(3-hydroxybutyl)-5-iodothiophene-3-carboxamide
CID 78995528
N-(2-hydroxy-3-methoxypropyl)-5-iodothiophene-3-carboxamide
CID 79693699
5-iodo-N-methylthiophene-3-carboxamide
CID 78950138
5-iodo-N-(2-oxopropyl)thiophene-3-carboxamide
CID 79692764
5-iodo-N-propan-2-ylthiophene-3-carboxamide
CID 78949917
3-[(5-iodothiophene-3-carbonyl)amino]-2-phenylpropanoic acid
CID 79685262

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-[2-(methylamino)propyl]thiophene-3-carboxamide;hydrochloride?
The IUPAC name of 5-iodo-N-[2-(methylamino)propyl]thiophene-3-carboxamide;hydrochloride (CID 120829270) is 5-iodo-N-[2-(methylamino)propyl]thiophene-3-carboxamide;hydrochloride.
What is the SMILES notation for 5-iodo-N-[2-(methylamino)propyl]thiophene-3-carboxamide;hydrochloride?
The canonical SMILES for 5-iodo-N-[2-(methylamino)propyl]thiophene-3-carboxamide;hydrochloride is CNC(C)CNC(=O)c1csc(I)c1.Cl.
What is the InChIKey of 5-iodo-N-[2-(methylamino)propyl]thiophene-3-carboxamide;hydrochloride?
The InChIKey is UFUHVXLEHFVSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13IN2OS.ClH/c1-6(11-2)4-12-9(13)7-3-8(10)14-5-7;/h3,5-6,11H,4H2,1-2H3,(H,12,13);1H.
What are the key properties of 5-iodo-N-[2-(methylamino)propyl]thiophene-3-carboxamide;hydrochloride?
5-iodo-N-[2-(methylamino)propyl]thiophene-3-carboxamide;hydrochloride has a molecular weight of 360.65 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-[2-(methylamino)propyl]thiophene-3-carboxamide;hydrochloride is sourced from PubChem (CID 120829270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).