3-amino-3-hydroxyimino-2,2-dimethyl-N-(2-thiomorpholin-4-ylethyl)propanamide

C11H22N4O2S — CID 106326717

IUPAC3-amino-3-hydroxyimino-2,2-dimethyl-N-(2-thiomorpholin-4-ylethyl)propanamide
SMILESCC(C)(C(=O)NCCN1CCSCC1)C(N)=NO
InChIInChI=1S/C11H22N4O2S/c1-11(2,9(12)14-17)10(16)13-3-4-15-5-7-18-8-6-15/h17H,3-8H2,1-2H3,(H2,12,14)(H,13,16)
InChIKeyVFDFZTJKZZSKTM-UHFFFAOYSA-N
MW274.39 g/mol
LogP-0.08
Rot. Bonds5

About 3-amino-3-hydroxyimino-2,2-dimethyl-N-(2-thiomorpholin-4-ylethyl)propanamide

3-amino-3-hydroxyimino-2,2-dimethyl-N-(2-thiomorpholin-4-ylethyl)propanamide (PubChem CID 106326717) has the molecular formula C11H22N4O2S and a molecular weight of 274.39 g/mol. Its IUPAC name is 3-amino-3-hydroxyimino-2,2-dimethyl-N-(2-thiomorpholin-4-ylethyl)propanamide.

Molecular Properties

Compound Name3-amino-3-hydroxyimino-2,2-dimethyl-N-(2-thiomorpholin-4-ylethyl)propanamide
PubChem CID106326717
Molecular FormulaC11H22N4O2S
Molecular Weight274.39 g/mol
Exact Mass274.15
IUPAC Name3-amino-3-hydroxyimino-2,2-dimethyl-N-(2-thiomorpholin-4-ylethyl)propanamide
SMILESCC(C)(C(=O)NCCN1CCSCC1)C(N)=NO
InChIInChI=1S/C11H22N4O2S/c1-11(2,9(12)14-17)10(16)13-3-4-15-5-7-18-8-6-15/h17H,3-8H2,1-2H3,(H2,12,14)(H,13,16)
InChIKeyVFDFZTJKZZSKTM-UHFFFAOYSA-N
XLogP-0.08
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
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

2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2-thiomorpholin-4-ylethyl)butanamide
CID 106326721
3-amino-3-hydroxyimino-2,2-dimethyl-N-propylpropanamide
CID 76920014
N-[2-[(3-amino-3-hydroxyimino-2,2-dimethylpropanoyl)amino]ethyl]cyclopropanecarboxamide
CID 104865064
1-(N'-hydroxycarbamimidoyl)-N-(2-thiomorpholin-4-ylethyl)cyclopentane-1-carboxamide
CID 106326711
2,2,3,3,3-pentafluoro-N-(2-thiomorpholin-4-ylethyl)propanamide
CID 114174018
3-amino-3-hydroxyimino-2,2-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]propanamide
CID 76920555
3-amino-3-hydroxyimino-2,2-dimethyl-N-(3-methylsulfinylpropyl)propanamide
CID 104866162
(2S)-2-amino-N-(2-thiomorpholin-4-ylethyl)butanamide
CID 103813710
3-amino-3-hydroxyimino-2,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 76920813
2,2-dimethyl-N'-(2-thiomorpholin-4-ylethyl)propanimidamide
CID 106327282
2-amino-3-methyl-N-(2-thiomorpholin-4-ylethyl)butanamide
CID 103813658
(2S)-2-amino-N-(2-thiomorpholin-4-ylethyl)pentanamide
CID 106325399

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-hydroxyimino-2,2-dimethyl-N-(2-thiomorpholin-4-ylethyl)propanamide?
The IUPAC name of 3-amino-3-hydroxyimino-2,2-dimethyl-N-(2-thiomorpholin-4-ylethyl)propanamide (CID 106326717) is 3-amino-3-hydroxyimino-2,2-dimethyl-N-(2-thiomorpholin-4-ylethyl)propanamide.
What is the SMILES notation for 3-amino-3-hydroxyimino-2,2-dimethyl-N-(2-thiomorpholin-4-ylethyl)propanamide?
The canonical SMILES for 3-amino-3-hydroxyimino-2,2-dimethyl-N-(2-thiomorpholin-4-ylethyl)propanamide is CC(C)(C(=O)NCCN1CCSCC1)C(N)=NO.
What is the InChIKey of 3-amino-3-hydroxyimino-2,2-dimethyl-N-(2-thiomorpholin-4-ylethyl)propanamide?
The InChIKey is VFDFZTJKZZSKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2S/c1-11(2,9(12)14-17)10(16)13-3-4-15-5-7-18-8-6-15/h17H,3-8H2,1-2H3,(H2,12,14)(H,13,16).
What are the key properties of 3-amino-3-hydroxyimino-2,2-dimethyl-N-(2-thiomorpholin-4-ylethyl)propanamide?
3-amino-3-hydroxyimino-2,2-dimethyl-N-(2-thiomorpholin-4-ylethyl)propanamide has a molecular weight of 274.39 g/mol, XLogP of -0.08, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-hydroxyimino-2,2-dimethyl-N-(2-thiomorpholin-4-ylethyl)propanamide is sourced from PubChem (CID 106326717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).