3-amino-3-hydroxyimino-2-methyl-N-(thian-4-ylmethyl)propanamide

C10H19N3O2S — CID 104866186

IUPAC3-amino-3-hydroxyimino-2-methyl-N-(thian-4-ylmethyl)propanamide
SMILESCC(C(=O)NCC1CCSCC1)C(N)=NO
InChIInChI=1S/C10H19N3O2S/c1-7(9(11)13-15)10(14)12-6-8-2-4-16-5-3-8/h7-8,15H,2-6H2,1H3,(H2,11,13)(H,12,14)
InChIKeyKUDOJCFMSKUURG-UHFFFAOYSA-N
MW245.35 g/mol
LogP0.63
Rot. Bonds4

About 3-amino-3-hydroxyimino-2-methyl-N-(thian-4-ylmethyl)propanamide

3-amino-3-hydroxyimino-2-methyl-N-(thian-4-ylmethyl)propanamide (PubChem CID 104866186) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is 3-amino-3-hydroxyimino-2-methyl-N-(thian-4-ylmethyl)propanamide.

Molecular Properties

Compound Name3-amino-3-hydroxyimino-2-methyl-N-(thian-4-ylmethyl)propanamide
PubChem CID104866186
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC Name3-amino-3-hydroxyimino-2-methyl-N-(thian-4-ylmethyl)propanamide
SMILESCC(C(=O)NCC1CCSCC1)C(N)=NO
InChIInChI=1S/C10H19N3O2S/c1-7(9(11)13-15)10(14)12-6-8-2-4-16-5-3-8/h7-8,15H,2-6H2,1H3,(H2,11,13)(H,12,14)
InChIKeyKUDOJCFMSKUURG-UHFFFAOYSA-N
XLogP0.63
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 50.63
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 3-amino-3-hydroxyimino-2-methyl-N-(thian-4-ylmethyl)propanamide 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

3-amino-N-(cyclopentylmethyl)-3-hydroxyimino-2-methylpropanamide
CID 76925491
2-methyl-N-(thian-4-ylmethyl)propanamide
CID 115625101
(2S)-2-amino-3-methyl-N-(thian-4-ylmethyl)pentanamide
CID 67292005
N-(cyclopentylmethyl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide
CID 76925494
(2S)-2-amino-3,3-dimethyl-N-(thian-4-ylmethyl)butanamide;hydrochloride
CID 119756562
3-amino-N-cyclopropyl-3-hydroxyimino-2-methylpropanamide
CID 76925873
2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(thian-4-ylmethyl)butanamide
CID 104866189
N-(thian-4-ylmethyl)acetamide
CID 91415666
3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-hydroxyimino-2-methylpropanamide
CID 76979808
3-amino-N-(4-amino-4-oxobutyl)-3-hydroxyimino-2-methylpropanamide
CID 76926545
N-(1-amino-1-hydroxyiminobutan-2-yl)-2-(thian-4-yl)acetamide
CID 83136385
(2S)-2-amino-4-methyl-N-(thiolan-3-ylmethyl)pentanamide
CID 107296003

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-hydroxyimino-2-methyl-N-(thian-4-ylmethyl)propanamide?
The IUPAC name of 3-amino-3-hydroxyimino-2-methyl-N-(thian-4-ylmethyl)propanamide (CID 104866186) is 3-amino-3-hydroxyimino-2-methyl-N-(thian-4-ylmethyl)propanamide.
What is the SMILES notation for 3-amino-3-hydroxyimino-2-methyl-N-(thian-4-ylmethyl)propanamide?
The canonical SMILES for 3-amino-3-hydroxyimino-2-methyl-N-(thian-4-ylmethyl)propanamide is CC(C(=O)NCC1CCSCC1)C(N)=NO.
What is the InChIKey of 3-amino-3-hydroxyimino-2-methyl-N-(thian-4-ylmethyl)propanamide?
The InChIKey is KUDOJCFMSKUURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-7(9(11)13-15)10(14)12-6-8-2-4-16-5-3-8/h7-8,15H,2-6H2,1H3,(H2,11,13)(H,12,14).
What are the key properties of 3-amino-3-hydroxyimino-2-methyl-N-(thian-4-ylmethyl)propanamide?
3-amino-3-hydroxyimino-2-methyl-N-(thian-4-ylmethyl)propanamide has a molecular weight of 245.35 g/mol, XLogP of 0.63, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-hydroxyimino-2-methyl-N-(thian-4-ylmethyl)propanamide is sourced from PubChem (CID 104866186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).