N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-methylthieno[3,2-b]thiophene-5-carboxamide

C11H13N3O2S2 — CID 80744655

IUPACN-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-methylthieno[3,2-b]thiophene-5-carboxamide
SMILESCN(CC/C(N)=N/O)C(=O)c1cc2sccc2s1
InChIInChI=1S/C11H13N3O2S2/c1-14(4-2-10(12)13-16)11(15)9-6-8-7(18-9)3-5-17-8/h3,5-6,16H,2,4H2,1H3,(H2,12,13)
InChIKeyOALDIXRNZBYJJV-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.17
Rot. Bonds4

About N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-methylthieno[3,2-b]thiophene-5-carboxamide

N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-methylthieno[3,2-b]thiophene-5-carboxamide (PubChem CID 80744655) has the molecular formula C11H13N3O2S2 and a molecular weight of 283.38 g/mol. Its IUPAC name is N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-methylthieno[3,2-b]thiophene-5-carboxamide.

Molecular Properties

Compound NameN-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-methylthieno[3,2-b]thiophene-5-carboxamide
PubChem CID80744655
Molecular FormulaC11H13N3O2S2
Molecular Weight283.38 g/mol
Exact Mass283.04
IUPAC NameN-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-methylthieno[3,2-b]thiophene-5-carboxamide
SMILESCN(CC/C(N)=N/O)C(=O)c1cc2sccc2s1
InChIInChI=1S/C11H13N3O2S2/c1-14(4-2-10(12)13-16)11(15)9-6-8-7(18-9)3-5-17-8/h3,5-6,16H,2,4H2,1H3,(H2,12,13)
InChIKeyOALDIXRNZBYJJV-UHFFFAOYSA-N
XLogP2.17
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-propylthieno[3,2-b]thiophene-5-carboxamide
CID 80745942
N-methyl-N-[3-(methylamino)propyl]thieno[3,2-b]thiophene-5-carboxamide
CID 80733761
N-[(4-bromophenyl)methyl]-N-methylthieno[3,2-b]thiophene-5-carboxamide
CID 112732660
ethyl 2-[methyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetate
CID 78916963
2-methyl-3-[methyl(thieno[3,2-b]thiophene-5-carbonyl)amino]propanoic acid
CID 80733667
3-[tert-butyl(thieno[3,2-b]thiophene-5-carbonyl)amino]propanoic acid
CID 80734116
N-[(3E)-3-amino-3-hydroxyiminopropyl]-4-chloro-N-methylbenzamide
CID 6249988
N-[(2-bromophenyl)methyl]-N-methylthieno[3,2-b]thiophene-5-carboxamide
CID 112732717
N-(3-amino-3-hydroxyiminopropyl)-N,2-dimethyl-1,3-thiazole-4-carboxamide
CID 77059339
2-[methyl(thieno[3,2-b]thiophene-5-carbonyl)amino]butanoic acid
CID 80734197
ethyl 2-[propyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetate
CID 78968119
N-(3-hydroxypropyl)-N-propan-2-ylthieno[3,2-b]thiophene-5-carboxamide
CID 80745102

Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-methylthieno[3,2-b]thiophene-5-carboxamide?
The IUPAC name of N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-methylthieno[3,2-b]thiophene-5-carboxamide (CID 80744655) is N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-methylthieno[3,2-b]thiophene-5-carboxamide.
What is the SMILES notation for N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-methylthieno[3,2-b]thiophene-5-carboxamide?
The canonical SMILES for N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-methylthieno[3,2-b]thiophene-5-carboxamide is CN(CC/C(N)=N/O)C(=O)c1cc2sccc2s1.
What is the InChIKey of N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-methylthieno[3,2-b]thiophene-5-carboxamide?
The InChIKey is OALDIXRNZBYJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S2/c1-14(4-2-10(12)13-16)11(15)9-6-8-7(18-9)3-5-17-8/h3,5-6,16H,2,4H2,1H3,(H2,12,13).
What are the key properties of N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-methylthieno[3,2-b]thiophene-5-carboxamide?
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-methylthieno[3,2-b]thiophene-5-carboxamide has a molecular weight of 283.38 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-methylthieno[3,2-b]thiophene-5-carboxamide is sourced from PubChem (CID 80744655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).