(3Z)-3-amino-3-hydroxyimino-N-(2-methyl-1-thiophen-2-ylpropyl)propanamide

C11H17N3O2S — CID 55134978

IUPAC(3Z)-3-amino-3-hydroxyimino-N-(2-methyl-1-thiophen-2-ylpropyl)propanamide
SMILESCC(C)C(NC(=O)C/C(N)=N/O)c1cccs1
InChIInChI=1S/C11H17N3O2S/c1-7(2)11(8-4-3-5-17-8)13-10(15)6-9(12)14-16/h3-5,7,11,16H,6H2,1-2H3,(H2,12,14)(H,13,15)
InChIKeyUTQDEMBBIDYRBO-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.70
Rot. Bonds5

About (3Z)-3-amino-3-hydroxyimino-N-(2-methyl-1-thiophen-2-ylpropyl)propanamide

(3Z)-3-amino-3-hydroxyimino-N-(2-methyl-1-thiophen-2-ylpropyl)propanamide (PubChem CID 55134978) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is (3Z)-3-amino-3-hydroxyimino-N-(2-methyl-1-thiophen-2-ylpropyl)propanamide.

Molecular Properties

Compound Name(3Z)-3-amino-3-hydroxyimino-N-(2-methyl-1-thiophen-2-ylpropyl)propanamide
PubChem CID55134978
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name(3Z)-3-amino-3-hydroxyimino-N-(2-methyl-1-thiophen-2-ylpropyl)propanamide
SMILESCC(C)C(NC(=O)C/C(N)=N/O)c1cccs1
InChIInChI=1S/C11H17N3O2S/c1-7(2)11(8-4-3-5-17-8)13-10(15)6-9(12)14-16/h3-5,7,11,16H,6H2,1-2H3,(H2,12,14)(H,13,15)
InChIKeyUTQDEMBBIDYRBO-UHFFFAOYSA-N
XLogP1.70
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.70
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'}

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Related Compounds

N-(3-methyl-1-thiophen-2-ylbutyl)propanamide
CID 51089364
2-[2-[(3-Methyl-1-thiophen-2-ylbutyl)amino]-2-oxoethyl]sulfanylacetamide
CID 56822561
3-(2,5-dioxopyrrolidin-1-yl)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]propanamide
CID 31737025
N-[(1S)-2-ethyl-1-thiophen-2-ylbutyl]acetamide
CID 94635896
3,3,3-trifluoro-N'-hydroxy-2-[(1-thiophen-2-ylpropylamino)methyl]propanimidamide
CID 103369789
3,3,3-trifluoro-N'-hydroxy-2-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]propanimidamide
CID 103369808
tert-butyl N-[3-[(2-methyl-1-thiophen-2-ylpropyl)amino]-3-oxopropyl]carbamate
CID 45848722
3-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)but-2-enamide
CID 45850490
N-(2-ethyl-1-thiophen-2-ylbutyl)acetamide
CID 51088621
N-(3-methyl-1-thiophen-2-ylbutyl)cyclopropanecarboxamide
CID 51089365
N-(2-methyl-1-thiophen-2-ylpropyl)propanamide
CID 60666432
N-[3-[4-[ethanimidoyl(2-methylpropanimidoyl)amino]piperidin-1-yl]-1-thiophen-2-ylpropyl]acetamide
CID 135294436

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-amino-3-hydroxyimino-N-(2-methyl-1-thiophen-2-ylpropyl)propanamide?
The IUPAC name of (3Z)-3-amino-3-hydroxyimino-N-(2-methyl-1-thiophen-2-ylpropyl)propanamide (CID 55134978) is (3Z)-3-amino-3-hydroxyimino-N-(2-methyl-1-thiophen-2-ylpropyl)propanamide.
What is the SMILES notation for (3Z)-3-amino-3-hydroxyimino-N-(2-methyl-1-thiophen-2-ylpropyl)propanamide?
The canonical SMILES for (3Z)-3-amino-3-hydroxyimino-N-(2-methyl-1-thiophen-2-ylpropyl)propanamide is CC(C)C(NC(=O)C/C(N)=N/O)c1cccs1.
What is the InChIKey of (3Z)-3-amino-3-hydroxyimino-N-(2-methyl-1-thiophen-2-ylpropyl)propanamide?
The InChIKey is UTQDEMBBIDYRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-7(2)11(8-4-3-5-17-8)13-10(15)6-9(12)14-16/h3-5,7,11,16H,6H2,1-2H3,(H2,12,14)(H,13,15).
What are the key properties of (3Z)-3-amino-3-hydroxyimino-N-(2-methyl-1-thiophen-2-ylpropyl)propanamide?
(3Z)-3-amino-3-hydroxyimino-N-(2-methyl-1-thiophen-2-ylpropyl)propanamide has a molecular weight of 255.34 g/mol, XLogP of 1.70, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-amino-3-hydroxyimino-N-(2-methyl-1-thiophen-2-ylpropyl)propanamide is sourced from PubChem (CID 55134978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).