N-(3-aminopropyl)-5-iodo-N-methylthiophene-3-carboxamide

C9H13IN2OS — CID 81482711

IUPACN-(3-aminopropyl)-5-iodo-N-methylthiophene-3-carboxamide
SMILESCN(CCCN)C(=O)c1csc(I)c1
InChIInChI=1S/C9H13IN2OS/c1-12(4-2-3-11)9(13)7-5-8(10)14-6-7/h5-6H,2-4,11H2,1H3
InChIKeyIOTGHUQFEJQUOB-UHFFFAOYSA-N
MW324.19 g/mol
LogP1.77
Rot. Bonds4

About N-(3-aminopropyl)-5-iodo-N-methylthiophene-3-carboxamide

N-(3-aminopropyl)-5-iodo-N-methylthiophene-3-carboxamide (PubChem CID 81482711) has the molecular formula C9H13IN2OS and a molecular weight of 324.19 g/mol. Its IUPAC name is N-(3-aminopropyl)-5-iodo-N-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-5-iodo-N-methylthiophene-3-carboxamide
PubChem CID81482711
Molecular FormulaC9H13IN2OS
Molecular Weight324.19 g/mol
Exact Mass323.98
IUPAC NameN-(3-aminopropyl)-5-iodo-N-methylthiophene-3-carboxamide
SMILESCN(CCCN)C(=O)c1csc(I)c1
InChIInChI=1S/C9H13IN2OS/c1-12(4-2-3-11)9(13)7-5-8(10)14-6-7/h5-6H,2-4,11H2,1H3
InChIKeyIOTGHUQFEJQUOB-UHFFFAOYSA-N
XLogP1.77
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.19
LogP ≤ 51.77
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

N-(3-amino-3-sulfanylidenepropyl)-5-iodo-N-methylthiophene-3-carboxamide
CID 79694120
N-(2-hydroxy-2-methylpropyl)-5-iodo-N-methylthiophene-3-carboxamide
CID 79601816
methyl 3-[(5-iodothiophene-3-carbonyl)-methylamino]-2-methylpropanoate
CID 78950585
5-iodo-N,N-dipropylthiophene-3-carboxamide
CID 78948915
N-[[4-(dimethylamino)phenyl]methyl]-5-iodo-N-methylthiophene-3-carboxamide
CID 78949482
N-tert-butyl-5-iodo-N-methylthiophene-3-carboxamide
CID 131019852
N-(2-aminoethyl)-N-benzyl-5-iodothiophene-3-carboxamide
CID 104859489
N-(3-hydroxypropyl)-5-iodo-N-propan-2-ylthiophene-3-carboxamide
CID 79693867
N-[3-(diethylamino)propyl]-N-ethyl-5-iodothiophene-3-carboxamide
CID 102993520
N-[(2-chloro-6-fluorophenyl)methyl]-5-iodo-N-methylthiophene-3-carboxamide
CID 78949110
N-(3-aminopropyl)-2-iodo-N-methylbenzamide
CID 81483846
N-butyl-N-methyl-5-sulfamoylthiophene-3-carboxamide
CID 62223262

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-5-iodo-N-methylthiophene-3-carboxamide?
The IUPAC name of N-(3-aminopropyl)-5-iodo-N-methylthiophene-3-carboxamide (CID 81482711) is N-(3-aminopropyl)-5-iodo-N-methylthiophene-3-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-5-iodo-N-methylthiophene-3-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-5-iodo-N-methylthiophene-3-carboxamide is CN(CCCN)C(=O)c1csc(I)c1.
What is the InChIKey of N-(3-aminopropyl)-5-iodo-N-methylthiophene-3-carboxamide?
The InChIKey is IOTGHUQFEJQUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13IN2OS/c1-12(4-2-3-11)9(13)7-5-8(10)14-6-7/h5-6H,2-4,11H2,1H3.
What are the key properties of N-(3-aminopropyl)-5-iodo-N-methylthiophene-3-carboxamide?
N-(3-aminopropyl)-5-iodo-N-methylthiophene-3-carboxamide has a molecular weight of 324.19 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-5-iodo-N-methylthiophene-3-carboxamide is sourced from PubChem (CID 81482711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).