N-(3-amino-3-hydroxyiminopropyl)-5-ethylthiophene-2-carboxamide

C10H15N3O2S — CID 76952712

IUPACN-(3-amino-3-hydroxyiminopropyl)-5-ethylthiophene-2-carboxamide
SMILESCCc1ccc(C(=O)NCCC(N)=NO)s1
InChIInChI=1S/C10H15N3O2S/c1-2-7-3-4-8(16-7)10(14)12-6-5-9(11)13-15/h3-4,15H,2,5-6H2,1H3,(H2,11,13)(H,12,14)
InChIKeyXJIWNJBMNBLDSO-UHFFFAOYSA-N
MW241.32 g/mol
LogP1.18
Rot. Bonds5

About N-(3-amino-3-hydroxyiminopropyl)-5-ethylthiophene-2-carboxamide

N-(3-amino-3-hydroxyiminopropyl)-5-ethylthiophene-2-carboxamide (PubChem CID 76952712) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is N-(3-amino-3-hydroxyiminopropyl)-5-ethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyiminopropyl)-5-ethylthiophene-2-carboxamide
PubChem CID76952712
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC NameN-(3-amino-3-hydroxyiminopropyl)-5-ethylthiophene-2-carboxamide
SMILESCCc1ccc(C(=O)NCCC(N)=NO)s1
InChIInChI=1S/C10H15N3O2S/c1-2-7-3-4-8(16-7)10(14)12-6-5-9(11)13-15/h3-4,15H,2,5-6H2,1H3,(H2,11,13)(H,12,14)
InChIKeyXJIWNJBMNBLDSO-UHFFFAOYSA-N
XLogP1.18
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 51.18
H-Bond Donors ≤ 53
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(3-amino-3-hydroxyiminopropyl)-5-ethylthiophene-2-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-[(4Z)-4-amino-4-hydroxyiminobutyl]-5-ethylthiophene-2-carboxamide
CID 55102308
6-[(5-ethylthiophene-2-carbonyl)amino]hexanoic acid
CID 43170039
N-(2-amino-2-hydroxyiminoethyl)-N,5-diethylthiophene-2-carboxamide
CID 76929157
methyl 6-[(5-ethylthiophene-2-carbonyl)amino]hexanoate
CID 43408697
N-(6-chlorohexyl)-5-ethylthiophene-2-carboxamide
CID 107847091
(3Z)-3-amino-N-[(5-ethylthiophen-2-yl)methyl]-3-hydroxyiminopropanamide
CID 106014338
5-ethyl-N-[(2R)-2-hydroxypropyl]thiophene-2-carboxamide
CID 83031120
N-(3-amino-3-hydroxyiminopropyl)-4-methoxythiophene-2-carboxamide
CID 81124953
3-[(5-ethylthiophene-2-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 81368751
4-[(5-ethylthiophene-2-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid
CID 66001322
N-(3-amino-3-sulfanylidenepropyl)-5-methylthiophene-2-carboxamide
CID 62665926
N-[(2R)-1-aminopropan-2-yl]-5-ethylthiophene-2-carboxamide
CID 104873084

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-5-ethylthiophene-2-carboxamide?
The IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-5-ethylthiophene-2-carboxamide (CID 76952712) is N-(3-amino-3-hydroxyiminopropyl)-5-ethylthiophene-2-carboxamide.
What is the SMILES notation for N-(3-amino-3-hydroxyiminopropyl)-5-ethylthiophene-2-carboxamide?
The canonical SMILES for N-(3-amino-3-hydroxyiminopropyl)-5-ethylthiophene-2-carboxamide is CCc1ccc(C(=O)NCCC(N)=NO)s1.
What is the InChIKey of N-(3-amino-3-hydroxyiminopropyl)-5-ethylthiophene-2-carboxamide?
The InChIKey is XJIWNJBMNBLDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-2-7-3-4-8(16-7)10(14)12-6-5-9(11)13-15/h3-4,15H,2,5-6H2,1H3,(H2,11,13)(H,12,14).
What are the key properties of N-(3-amino-3-hydroxyiminopropyl)-5-ethylthiophene-2-carboxamide?
N-(3-amino-3-hydroxyiminopropyl)-5-ethylthiophene-2-carboxamide has a molecular weight of 241.32 g/mol, XLogP of 1.18, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-hydroxyiminopropyl)-5-ethylthiophene-2-carboxamide is sourced from PubChem (CID 76952712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).