N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-5-iodothiophene-3-carboxamide

C11H14IN3O2S — CID 79683756

IUPACN-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-5-iodothiophene-3-carboxamide
SMILESNC(CCN(C(=O)c1csc(I)c1)C1CC1)=NO
InChIInChI=1S/C11H14IN3O2S/c12-9-5-7(6-18-9)11(16)15(8-1-2-8)4-3-10(13)14-17/h5-6,8,17H,1-4H2,(H2,13,14)
InChIKeyNBKOXHZJAPAKOT-UHFFFAOYSA-N
MW379.22 g/mol
LogP2.09
Rot. Bonds5

About N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-5-iodothiophene-3-carboxamide

N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-5-iodothiophene-3-carboxamide (PubChem CID 79683756) has the molecular formula C11H14IN3O2S and a molecular weight of 379.22 g/mol. Its IUPAC name is N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-5-iodothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-5-iodothiophene-3-carboxamide
PubChem CID79683756
Molecular FormulaC11H14IN3O2S
Molecular Weight379.22 g/mol
Exact Mass378.99
IUPAC NameN-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-5-iodothiophene-3-carboxamide
SMILESNC(CCN(C(=O)c1csc(I)c1)C1CC1)=NO
InChIInChI=1S/C11H14IN3O2S/c12-9-5-7(6-18-9)11(16)15(8-1-2-8)4-3-10(13)14-17/h5-6,8,17H,1-4H2,(H2,13,14)
InChIKeyNBKOXHZJAPAKOT-UHFFFAOYSA-N
XLogP2.09
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.22
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-5-iodothiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-N-ethyl-5-iodothiophene-3-carboxamide
CID 78948757
N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2-methyl-1,3-thiazole-4-carboxamide
CID 77059342
N-[(3E)-3-amino-3-hydroxyiminopropyl]-N-cyclopropylpyridine-4-carboxamide
CID 54997157
N-cyclopropyl-5-iodo-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 78948676
N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2,3,4-trifluorobenzamide
CID 79755748
N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-1H-pyrazole-4-carboxamide
CID 76983754
N-cyclopentyl-N-ethyl-5-iodothiophene-3-carboxamide
CID 78948393
N-(2-amino-2-hydroxyiminoethyl)-N-ethyl-5-iodothiophene-3-carboxamide
CID 79683911
N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 76937001
N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2-fluoro-5-methylbenzamide
CID 76945662
N-[(2S)-2-cyanopropyl]-N-cyclopropyl-5-iodothiophene-3-carboxamide
CID 97087107
N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2,3-dimethylbenzamide
CID 76911641

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-5-iodothiophene-3-carboxamide?
The IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-5-iodothiophene-3-carboxamide (CID 79683756) is N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-5-iodothiophene-3-carboxamide.
What is the SMILES notation for N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-5-iodothiophene-3-carboxamide?
The canonical SMILES for N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-5-iodothiophene-3-carboxamide is NC(CCN(C(=O)c1csc(I)c1)C1CC1)=NO.
What is the InChIKey of N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-5-iodothiophene-3-carboxamide?
The InChIKey is NBKOXHZJAPAKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14IN3O2S/c12-9-5-7(6-18-9)11(16)15(8-1-2-8)4-3-10(13)14-17/h5-6,8,17H,1-4H2,(H2,13,14).
What are the key properties of N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-5-iodothiophene-3-carboxamide?
N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-5-iodothiophene-3-carboxamide has a molecular weight of 379.22 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-5-iodothiophene-3-carboxamide is sourced from PubChem (CID 79683756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).