5-iodo-N-(2,2,3,3-tetramethylcyclopropyl)thiophene-3-carboxamide

C12H16INOS — CID 79693424

IUPAC5-iodo-N-(2,2,3,3-tetramethylcyclopropyl)thiophene-3-carboxamide
SMILESCC1(C)C(NC(=O)c2csc(I)c2)C1(C)C
InChIInChI=1S/C12H16INOS/c1-11(2)10(12(11,3)4)14-9(15)7-5-8(13)16-6-7/h5-6,10H,1-4H3,(H,14,15)
InChIKeyJUDOUNQUJVTTJQ-UHFFFAOYSA-N
MW349.24 g/mol
LogP3.52
Rot. Bonds2

About 5-iodo-N-(2,2,3,3-tetramethylcyclopropyl)thiophene-3-carboxamide

5-iodo-N-(2,2,3,3-tetramethylcyclopropyl)thiophene-3-carboxamide (PubChem CID 79693424) has the molecular formula C12H16INOS and a molecular weight of 349.24 g/mol. Its IUPAC name is 5-iodo-N-(2,2,3,3-tetramethylcyclopropyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-iodo-N-(2,2,3,3-tetramethylcyclopropyl)thiophene-3-carboxamide
PubChem CID79693424
Molecular FormulaC12H16INOS
Molecular Weight349.24 g/mol
Exact Mass349.00
IUPAC Name5-iodo-N-(2,2,3,3-tetramethylcyclopropyl)thiophene-3-carboxamide
SMILESCC1(C)C(NC(=O)c2csc(I)c2)C1(C)C
InChIInChI=1S/C12H16INOS/c1-11(2)10(12(11,3)4)14-9(15)7-5-8(13)16-6-7/h5-6,10H,1-4H3,(H,14,15)
InChIKeyJUDOUNQUJVTTJQ-UHFFFAOYSA-N
XLogP3.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.24
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]thiophene-2-sulfonyl chloride
CID 79357188
N-(3,3-dimethylcyclopentyl)-5-iodothiophene-3-carboxamide
CID 115880826
5-iodo-N-methylthiophene-3-carboxamide
CID 78950138
N-(3-aminocyclobutyl)-5-iodothiophene-3-carboxamide
CID 79693813
5-iodo-N-propan-2-ylthiophene-3-carboxamide
CID 78949917
N'-acetyl-5-iodothiophene-3-carbohydrazide
CID 78950515
N-[(1S,2S)-2-hydroxycyclohexyl]-5-iodothiophene-3-carboxamide
CID 104956640
N-(2,3-dihydro-1H-inden-2-yl)-5-iodothiophene-3-carboxamide
CID 104693627
5-iodo-N-(2-methoxycyclopentyl)thiophene-3-carboxamide
CID 79692869
5-iodo-N-(2-oxopropyl)thiophene-3-carboxamide
CID 79692764
N-(2-chlorocyclohexyl)-5-iodothiophene-3-carboxamide
CID 114301116
N-(1,2-dimethylpiperidin-4-yl)-5-iodothiophene-3-carboxamide
CID 79005771

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-(2,2,3,3-tetramethylcyclopropyl)thiophene-3-carboxamide?
The IUPAC name of 5-iodo-N-(2,2,3,3-tetramethylcyclopropyl)thiophene-3-carboxamide (CID 79693424) is 5-iodo-N-(2,2,3,3-tetramethylcyclopropyl)thiophene-3-carboxamide.
What is the SMILES notation for 5-iodo-N-(2,2,3,3-tetramethylcyclopropyl)thiophene-3-carboxamide?
The canonical SMILES for 5-iodo-N-(2,2,3,3-tetramethylcyclopropyl)thiophene-3-carboxamide is CC1(C)C(NC(=O)c2csc(I)c2)C1(C)C.
What is the InChIKey of 5-iodo-N-(2,2,3,3-tetramethylcyclopropyl)thiophene-3-carboxamide?
The InChIKey is JUDOUNQUJVTTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16INOS/c1-11(2)10(12(11,3)4)14-9(15)7-5-8(13)16-6-7/h5-6,10H,1-4H3,(H,14,15).
What are the key properties of 5-iodo-N-(2,2,3,3-tetramethylcyclopropyl)thiophene-3-carboxamide?
5-iodo-N-(2,2,3,3-tetramethylcyclopropyl)thiophene-3-carboxamide has a molecular weight of 349.24 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-(2,2,3,3-tetramethylcyclopropyl)thiophene-3-carboxamide is sourced from PubChem (CID 79693424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).