N-[3-(hydroxymethyl)pentan-3-yl]-5-iodothiophene-3-carboxamide

C11H16INO2S — CID 79693610

IUPACN-[3-(hydroxymethyl)pentan-3-yl]-5-iodothiophene-3-carboxamide
SMILESCCC(CC)(CO)NC(=O)c1csc(I)c1
InChIInChI=1S/C11H16INO2S/c1-3-11(4-2,7-14)13-10(15)8-5-9(12)16-6-8/h5-6,14H,3-4,7H2,1-2H3,(H,13,15)
InChIKeySWFRQBQJOSATHN-UHFFFAOYSA-N
MW353.23 g/mol
LogP2.63
Rot. Bonds5

About N-[3-(hydroxymethyl)pentan-3-yl]-5-iodothiophene-3-carboxamide

N-[3-(hydroxymethyl)pentan-3-yl]-5-iodothiophene-3-carboxamide (PubChem CID 79693610) has the molecular formula C11H16INO2S and a molecular weight of 353.23 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)pentan-3-yl]-5-iodothiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)pentan-3-yl]-5-iodothiophene-3-carboxamide
PubChem CID79693610
Molecular FormulaC11H16INO2S
Molecular Weight353.23 g/mol
Exact Mass352.99
IUPAC NameN-[3-(hydroxymethyl)pentan-3-yl]-5-iodothiophene-3-carboxamide
SMILESCCC(CC)(CO)NC(=O)c1csc(I)c1
InChIInChI=1S/C11H16INO2S/c1-3-11(4-2,7-14)13-10(15)8-5-9(12)16-6-8/h5-6,14H,3-4,7H2,1-2H3,(H,13,15)
InChIKeySWFRQBQJOSATHN-UHFFFAOYSA-N
XLogP2.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.23
LogP ≤ 52.63
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-(1-hydroxy-3-methylpentan-2-yl)thiophene-3-carboxamide
CID 21571879
N-[(2R)-1-hydroxypropan-2-yl]thiophene-3-carboxamide
CID 57804400
N-[(2S)-1-hydroxypropan-2-yl]thiophene-3-carboxamide
CID 65806482
N-[4-(4-hydroxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]thiophene-3-carboxamide
CID 91162688
N-(3-methyloxetan-3-yl)thiophene-3-carboxamide
CID 144942729
N-[(2S)-1-hydroxypropan-2-yl]thiophene-3-carboxamide;sulfane
CID 160993969
N-[3-(1-hydroxybutan-2-ylamino)-3-oxopropyl]thiophene-3-carboxamide
CID 43418062
N-(1-hydroxybutan-2-yl)thiophene-3-carboxamide
CID 43418063
N-(1-hydroxypropan-2-yl)thiophene-3-carboxamide
CID 43418754
N-[3-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-oxopropyl]thiophene-3-carboxamide
CID 43500673
5-bromo-N-(1-hydroxy-2-methylpropan-2-yl)thiophene-3-carboxamide
CID 43500930
N-(1-hydroxy-2-methylpropan-2-yl)thiophene-3-carboxamide
CID 43500984

Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)pentan-3-yl]-5-iodothiophene-3-carboxamide?
The IUPAC name of N-[3-(hydroxymethyl)pentan-3-yl]-5-iodothiophene-3-carboxamide (CID 79693610) is N-[3-(hydroxymethyl)pentan-3-yl]-5-iodothiophene-3-carboxamide.
What is the SMILES notation for N-[3-(hydroxymethyl)pentan-3-yl]-5-iodothiophene-3-carboxamide?
The canonical SMILES for N-[3-(hydroxymethyl)pentan-3-yl]-5-iodothiophene-3-carboxamide is CCC(CC)(CO)NC(=O)c1csc(I)c1.
What is the InChIKey of N-[3-(hydroxymethyl)pentan-3-yl]-5-iodothiophene-3-carboxamide?
The InChIKey is SWFRQBQJOSATHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16INO2S/c1-3-11(4-2,7-14)13-10(15)8-5-9(12)16-6-8/h5-6,14H,3-4,7H2,1-2H3,(H,13,15).
What are the key properties of N-[3-(hydroxymethyl)pentan-3-yl]-5-iodothiophene-3-carboxamide?
N-[3-(hydroxymethyl)pentan-3-yl]-5-iodothiophene-3-carboxamide has a molecular weight of 353.23 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)pentan-3-yl]-5-iodothiophene-3-carboxamide is sourced from PubChem (CID 79693610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).