N-(2-amino-3-hydroxybutyl)-5-iodothiophene-3-carboxamide

C9H13IN2O2S — CID 79693174

IUPACN-(2-amino-3-hydroxybutyl)-5-iodothiophene-3-carboxamide
SMILESCC(O)C(N)CNC(=O)c1csc(I)c1
InChIInChI=1S/C9H13IN2O2S/c1-5(13)7(11)3-12-9(14)6-2-8(10)15-4-6/h2,4-5,7,13H,3,11H2,1H3,(H,12,14)
InChIKeyJAUXIPUVYNUSEV-UHFFFAOYSA-N
MW340.19 g/mol
LogP0.79
Rot. Bonds4

About N-(2-amino-3-hydroxybutyl)-5-iodothiophene-3-carboxamide

N-(2-amino-3-hydroxybutyl)-5-iodothiophene-3-carboxamide (PubChem CID 79693174) has the molecular formula C9H13IN2O2S and a molecular weight of 340.19 g/mol. Its IUPAC name is N-(2-amino-3-hydroxybutyl)-5-iodothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-3-hydroxybutyl)-5-iodothiophene-3-carboxamide
PubChem CID79693174
Molecular FormulaC9H13IN2O2S
Molecular Weight340.19 g/mol
Exact Mass339.97
IUPAC NameN-(2-amino-3-hydroxybutyl)-5-iodothiophene-3-carboxamide
SMILESCC(O)C(N)CNC(=O)c1csc(I)c1
InChIInChI=1S/C9H13IN2O2S/c1-5(13)7(11)3-12-9(14)6-2-8(10)15-4-6/h2,4-5,7,13H,3,11H2,1H3,(H,12,14)
InChIKeyJAUXIPUVYNUSEV-UHFFFAOYSA-N
XLogP0.79
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.19
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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
5-iodo-N-[2-methyl-3-(methylamino)propyl]thiophene-3-carboxamide
CID 81478928
N-(2-amino-3-hydroxybutyl)-3-iodobenzamide
CID 64539149
5-iodo-N-(2-phenylpropyl)thiophene-3-carboxamide
CID 78948957
N-(3-hydroxybutyl)-5-iodothiophene-3-carboxamide
CID 78995528
N-(2-hydroxy-3-methoxypropyl)-5-iodothiophene-3-carboxamide
CID 79693699
3-[(5-iodothiophene-3-carbonyl)amino]-2-methoxypropanoic acid
CID 106107566
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 N-(2-amino-3-hydroxybutyl)-5-iodothiophene-3-carboxamide?
The IUPAC name of N-(2-amino-3-hydroxybutyl)-5-iodothiophene-3-carboxamide (CID 79693174) is N-(2-amino-3-hydroxybutyl)-5-iodothiophene-3-carboxamide.
What is the SMILES notation for N-(2-amino-3-hydroxybutyl)-5-iodothiophene-3-carboxamide?
The canonical SMILES for N-(2-amino-3-hydroxybutyl)-5-iodothiophene-3-carboxamide is CC(O)C(N)CNC(=O)c1csc(I)c1.
What is the InChIKey of N-(2-amino-3-hydroxybutyl)-5-iodothiophene-3-carboxamide?
The InChIKey is JAUXIPUVYNUSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13IN2O2S/c1-5(13)7(11)3-12-9(14)6-2-8(10)15-4-6/h2,4-5,7,13H,3,11H2,1H3,(H,12,14).
What are the key properties of N-(2-amino-3-hydroxybutyl)-5-iodothiophene-3-carboxamide?
N-(2-amino-3-hydroxybutyl)-5-iodothiophene-3-carboxamide has a molecular weight of 340.19 g/mol, XLogP of 0.79, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-3-hydroxybutyl)-5-iodothiophene-3-carboxamide is sourced from PubChem (CID 79693174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).