3-amino-3-hydroxyimino-N-(2-thiophen-3-ylethyl)propanamide

C9H13N3O2S — CID 61475450

IUPAC3-amino-3-hydroxyimino-N-(2-thiophen-3-ylethyl)propanamide
SMILESNC(CC(=O)NCCc1ccsc1)=NO
InChIInChI=1S/C9H13N3O2S/c10-8(12-14)5-9(13)11-3-1-7-2-4-15-6-7/h2,4,6,14H,1,3,5H2,(H2,10,12)(H,11,13)
InChIKeyDBORSBYUGKPBQT-UHFFFAOYSA-N
MW227.29 g/mol
LogP0.54
Rot. Bonds5

About 3-amino-3-hydroxyimino-N-(2-thiophen-3-ylethyl)propanamide

3-amino-3-hydroxyimino-N-(2-thiophen-3-ylethyl)propanamide (PubChem CID 61475450) has the molecular formula C9H13N3O2S and a molecular weight of 227.29 g/mol. Its IUPAC name is 3-amino-3-hydroxyimino-N-(2-thiophen-3-ylethyl)propanamide.

Molecular Properties

Compound Name3-amino-3-hydroxyimino-N-(2-thiophen-3-ylethyl)propanamide
PubChem CID61475450
Molecular FormulaC9H13N3O2S
Molecular Weight227.29 g/mol
Exact Mass227.07
IUPAC Name3-amino-3-hydroxyimino-N-(2-thiophen-3-ylethyl)propanamide
SMILESNC(CC(=O)NCCc1ccsc1)=NO
InChIInChI=1S/C9H13N3O2S/c10-8(12-14)5-9(13)11-3-1-7-2-4-15-6-7/h2,4,6,14H,1,3,5H2,(H2,10,12)(H,11,13)
InChIKeyDBORSBYUGKPBQT-UHFFFAOYSA-N
XLogP0.54
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 50.54
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

7-amino-N-(2-thiophen-3-ylethyl)heptanamide
CID 54953945
(3E)-3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-hydroxyiminopropanamide
CID 106041277
4-amino-3-methoxy-N-(2-thiophen-3-ylethyl)butanamide
CID 103155650
2,2,2-trifluoro-N-(2-thiophen-3-ylethyl)acetamide
CID 62726521
N-(2-thiophen-3-ylethyl)pyrimidine-2-carboxamide
CID 170939358
N-carbamoyl-2-(2-thiophen-3-ylethylamino)acetamide
CID 60976114
N-(2-thiophen-3-ylethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958029
3-(4-aminophenyl)-N-(2-thiophen-3-ylethyl)butanamide
CID 104502469
3-amino-2,2-dimethyl-N-(2-thiophen-3-ylethyl)propanamide
CID 81489154
2-amino-3-methyl-N-(2-thiophen-3-ylethyl)butanamide;hydrochloride
CID 119288925
2,6-dihydroxy-N-(2-thiophen-3-ylethyl)benzamide
CID 103890273
2-hydroxy-N-(2-thiophen-3-ylethyl)cyclopentane-1-carboxamide
CID 110015235

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-hydroxyimino-N-(2-thiophen-3-ylethyl)propanamide?
The IUPAC name of 3-amino-3-hydroxyimino-N-(2-thiophen-3-ylethyl)propanamide (CID 61475450) is 3-amino-3-hydroxyimino-N-(2-thiophen-3-ylethyl)propanamide.
What is the SMILES notation for 3-amino-3-hydroxyimino-N-(2-thiophen-3-ylethyl)propanamide?
The canonical SMILES for 3-amino-3-hydroxyimino-N-(2-thiophen-3-ylethyl)propanamide is NC(CC(=O)NCCc1ccsc1)=NO.
What is the InChIKey of 3-amino-3-hydroxyimino-N-(2-thiophen-3-ylethyl)propanamide?
The InChIKey is DBORSBYUGKPBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S/c10-8(12-14)5-9(13)11-3-1-7-2-4-15-6-7/h2,4,6,14H,1,3,5H2,(H2,10,12)(H,11,13).
What are the key properties of 3-amino-3-hydroxyimino-N-(2-thiophen-3-ylethyl)propanamide?
3-amino-3-hydroxyimino-N-(2-thiophen-3-ylethyl)propanamide has a molecular weight of 227.29 g/mol, XLogP of 0.54, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-hydroxyimino-N-(2-thiophen-3-ylethyl)propanamide is sourced from PubChem (CID 61475450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).