N-[(4Z)-4-amino-4-hydroxyiminobutyl]-5-ethylthiophene-2-carboxamide

C11H17N3O2S — CID 55102308

IUPACN-[(4Z)-4-amino-4-hydroxyiminobutyl]-5-ethylthiophene-2-carboxamide
SMILESCCc1ccc(C(=O)NCCC/C(N)=N/O)s1
InChIInChI=1S/C11H17N3O2S/c1-2-8-5-6-9(17-8)11(15)13-7-3-4-10(12)14-16/h5-6,16H,2-4,7H2,1H3,(H2,12,14)(H,13,15)
InChIKeyTUUJTCKJPAKTQQ-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.57
Rot. Bonds6

About N-[(4Z)-4-amino-4-hydroxyiminobutyl]-5-ethylthiophene-2-carboxamide

N-[(4Z)-4-amino-4-hydroxyiminobutyl]-5-ethylthiophene-2-carboxamide (PubChem CID 55102308) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is N-[(4Z)-4-amino-4-hydroxyiminobutyl]-5-ethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(4Z)-4-amino-4-hydroxyiminobutyl]-5-ethylthiophene-2-carboxamide
PubChem CID55102308
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC NameN-[(4Z)-4-amino-4-hydroxyiminobutyl]-5-ethylthiophene-2-carboxamide
SMILESCCc1ccc(C(=O)NCCC/C(N)=N/O)s1
InChIInChI=1S/C11H17N3O2S/c1-2-8-5-6-9(17-8)11(15)13-7-3-4-10(12)14-16/h5-6,16H,2-4,7H2,1H3,(H2,12,14)(H,13,15)
InChIKeyTUUJTCKJPAKTQQ-UHFFFAOYSA-N
XLogP1.57
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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'}

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Related Compounds

N-(3-amino-3-hydroxyiminopropyl)-5-ethylthiophene-2-carboxamide
CID 76952712
6-[(5-ethylthiophene-2-carbonyl)amino]hexanoic acid
CID 43170039
methyl 6-[(5-ethylthiophene-2-carbonyl)amino]hexanoate
CID 43408697
N-(6-chlorohexyl)-5-ethylthiophene-2-carboxamide
CID 107847091
N-(4-amino-4-hydroxyiminobutyl)-4-methylbenzamide
CID 76947565
N-(2-amino-2-hydroxyiminoethyl)-N,5-diethylthiophene-2-carboxamide
CID 76929157
N-(5-amino-5-hydroxyiminopentyl)-5-methylfuran-2-carboxamide
CID 77036852
(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-(4-amino-4-hydroxyiminobutyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 114034085
ethyl 4-[(5-methylthiophene-2-carbonyl)amino]butanoate
CID 60637607
(2R)-2-[(5-ethylthiophene-2-carbonyl)amino]hexanedioic acid
CID 107831637

Frequently Asked Questions

What is the IUPAC name of N-[(4Z)-4-amino-4-hydroxyiminobutyl]-5-ethylthiophene-2-carboxamide?
The IUPAC name of N-[(4Z)-4-amino-4-hydroxyiminobutyl]-5-ethylthiophene-2-carboxamide (CID 55102308) is N-[(4Z)-4-amino-4-hydroxyiminobutyl]-5-ethylthiophene-2-carboxamide.
What is the SMILES notation for N-[(4Z)-4-amino-4-hydroxyiminobutyl]-5-ethylthiophene-2-carboxamide?
The canonical SMILES for N-[(4Z)-4-amino-4-hydroxyiminobutyl]-5-ethylthiophene-2-carboxamide is CCc1ccc(C(=O)NCCC/C(N)=N/O)s1.
What is the InChIKey of N-[(4Z)-4-amino-4-hydroxyiminobutyl]-5-ethylthiophene-2-carboxamide?
The InChIKey is TUUJTCKJPAKTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-2-8-5-6-9(17-8)11(15)13-7-3-4-10(12)14-16/h5-6,16H,2-4,7H2,1H3,(H2,12,14)(H,13,15).
What are the key properties of N-[(4Z)-4-amino-4-hydroxyiminobutyl]-5-ethylthiophene-2-carboxamide?
N-[(4Z)-4-amino-4-hydroxyiminobutyl]-5-ethylthiophene-2-carboxamide has a molecular weight of 255.34 g/mol, XLogP of 1.57, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4Z)-4-amino-4-hydroxyiminobutyl]-5-ethylthiophene-2-carboxamide is sourced from PubChem (CID 55102308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).