5-iodo-N-(thian-4-ylmethyl)thiophene-3-carboxamide

C11H14INOS2 — CID 115625132

IUPAC5-iodo-N-(thian-4-ylmethyl)thiophene-3-carboxamide
SMILESO=C(NCC1CCSCC1)c1csc(I)c1
InChIInChI=1S/C11H14INOS2/c12-10-5-9(7-16-10)11(14)13-6-8-1-3-15-4-2-8/h5,7-8H,1-4,6H2,(H,13,14)
InChIKeyWPEQSPBYQCGDBF-UHFFFAOYSA-N
MW367.28 g/mol
LogP3.23
Rot. Bonds3

About 5-iodo-N-(thian-4-ylmethyl)thiophene-3-carboxamide

5-iodo-N-(thian-4-ylmethyl)thiophene-3-carboxamide (PubChem CID 115625132) has the molecular formula C11H14INOS2 and a molecular weight of 367.28 g/mol. Its IUPAC name is 5-iodo-N-(thian-4-ylmethyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-iodo-N-(thian-4-ylmethyl)thiophene-3-carboxamide
PubChem CID115625132
Molecular FormulaC11H14INOS2
Molecular Weight367.28 g/mol
Exact Mass366.96
IUPAC Name5-iodo-N-(thian-4-ylmethyl)thiophene-3-carboxamide
SMILESO=C(NCC1CCSCC1)c1csc(I)c1
InChIInChI=1S/C11H14INOS2/c12-10-5-9(7-16-10)11(14)13-6-8-1-3-15-4-2-8/h5,7-8H,1-4,6H2,(H,13,14)
InChIKeyWPEQSPBYQCGDBF-UHFFFAOYSA-N
XLogP3.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.28
LogP ≤ 53.23
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-(cyclopentylmethyl)-5-iodothiophene-3-carboxamide
CID 78948345
5-iodo-N-[(1-methylpiperidin-4-yl)methyl]thiophene-3-carboxamide
CID 78949608
N-[(3-chlorocyclohexyl)methyl]-5-iodothiophene-3-carboxamide
CID 106132272
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-iodothiophene-3-carboxamide
CID 78950614
3-bromo-N-(thian-4-ylmethyl)benzamide
CID 115625137
4-iodo-N-(thiolan-3-ylmethyl)benzamide
CID 107296392
5-bromo-N-(cyclobutylmethyl)thiophene-3-carboxamide
CID 33383602
4-(aminomethyl)-N-(thian-4-ylmethyl)benzamide
CID 113264057
6-bromo-N-(thian-4-ylmethyl)naphthalene-2-carboxamide
CID 115749078
5-iodo-N-[2-(1-methylpiperidin-4-yl)ethyl]thiophene-3-carboxamide
CID 115618153
5-iodo-N-(2-oxopropyl)thiophene-3-carboxamide
CID 79692764
N-(cyclopropylmethyl)-5-sulfamoylthiophene-3-carboxamide
CID 62223100

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-(thian-4-ylmethyl)thiophene-3-carboxamide?
The IUPAC name of 5-iodo-N-(thian-4-ylmethyl)thiophene-3-carboxamide (CID 115625132) is 5-iodo-N-(thian-4-ylmethyl)thiophene-3-carboxamide.
What is the SMILES notation for 5-iodo-N-(thian-4-ylmethyl)thiophene-3-carboxamide?
The canonical SMILES for 5-iodo-N-(thian-4-ylmethyl)thiophene-3-carboxamide is O=C(NCC1CCSCC1)c1csc(I)c1.
What is the InChIKey of 5-iodo-N-(thian-4-ylmethyl)thiophene-3-carboxamide?
The InChIKey is WPEQSPBYQCGDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14INOS2/c12-10-5-9(7-16-10)11(14)13-6-8-1-3-15-4-2-8/h5,7-8H,1-4,6H2,(H,13,14).
What are the key properties of 5-iodo-N-(thian-4-ylmethyl)thiophene-3-carboxamide?
5-iodo-N-(thian-4-ylmethyl)thiophene-3-carboxamide has a molecular weight of 367.28 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-(thian-4-ylmethyl)thiophene-3-carboxamide is sourced from PubChem (CID 115625132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).