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

C10H15IN2OS — CID 81478928

IUPAC5-iodo-N-[2-methyl-3-(methylamino)propyl]thiophene-3-carboxamide
SMILESCNCC(C)CNC(=O)c1csc(I)c1
InChIInChI=1S/C10H15IN2OS/c1-7(4-12-2)5-13-10(14)8-3-9(11)15-6-8/h3,6-7,12H,4-5H2,1-2H3,(H,13,14)
InChIKeyPADSMKSREUHWID-UHFFFAOYSA-N
MW338.21 g/mol
LogP1.94
Rot. Bonds5

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

5-iodo-N-[2-methyl-3-(methylamino)propyl]thiophene-3-carboxamide (PubChem CID 81478928) has the molecular formula C10H15IN2OS and a molecular weight of 338.21 g/mol. Its IUPAC name is 5-iodo-N-[2-methyl-3-(methylamino)propyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-iodo-N-[2-methyl-3-(methylamino)propyl]thiophene-3-carboxamide
PubChem CID81478928
Molecular FormulaC10H15IN2OS
Molecular Weight338.21 g/mol
Exact Mass337.99
IUPAC Name5-iodo-N-[2-methyl-3-(methylamino)propyl]thiophene-3-carboxamide
SMILESCNCC(C)CNC(=O)c1csc(I)c1
InChIInChI=1S/C10H15IN2OS/c1-7(4-12-2)5-13-10(14)8-3-9(11)15-6-8/h3,6-7,12H,4-5H2,1-2H3,(H,13,14)
InChIKeyPADSMKSREUHWID-UHFFFAOYSA-N
XLogP1.94
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 51.94
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-(methylamino)propyl]thiophene-3-carboxamide;hydrochloride
CID 120829270
N-(2-amino-3-hydroxybutyl)-5-iodothiophene-3-carboxamide
CID 79693174
5-iodo-N-(2-phenylpropyl)thiophene-3-carboxamide
CID 78948957
3-[(5-iodothiophene-3-carbonyl)amino]-2-methoxypropanoic acid
CID 106107566
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
N-[2-(dimethylamino)-2-phenylethyl]-5-iodothiophene-3-carboxamide
CID 78949054

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-[2-methyl-3-(methylamino)propyl]thiophene-3-carboxamide?
The IUPAC name of 5-iodo-N-[2-methyl-3-(methylamino)propyl]thiophene-3-carboxamide (CID 81478928) is 5-iodo-N-[2-methyl-3-(methylamino)propyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-iodo-N-[2-methyl-3-(methylamino)propyl]thiophene-3-carboxamide?
The canonical SMILES for 5-iodo-N-[2-methyl-3-(methylamino)propyl]thiophene-3-carboxamide is CNCC(C)CNC(=O)c1csc(I)c1.
What is the InChIKey of 5-iodo-N-[2-methyl-3-(methylamino)propyl]thiophene-3-carboxamide?
The InChIKey is PADSMKSREUHWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15IN2OS/c1-7(4-12-2)5-13-10(14)8-3-9(11)15-6-8/h3,6-7,12H,4-5H2,1-2H3,(H,13,14).
What are the key properties of 5-iodo-N-[2-methyl-3-(methylamino)propyl]thiophene-3-carboxamide?
5-iodo-N-[2-methyl-3-(methylamino)propyl]thiophene-3-carboxamide has a molecular weight of 338.21 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-[2-methyl-3-(methylamino)propyl]thiophene-3-carboxamide is sourced from PubChem (CID 81478928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).