2-methylpropyl (1Z)-N-hydroxy-3-methyl-2-(methylcarbamoyl)butanimidothioate

C11H22N2O2S — CID 88842791

IUPAC2-methylpropyl (1Z)-N-hydroxy-3-methyl-2-(methylcarbamoyl)butanimidothioate
SMILESCNC(=O)C(/C(=N/O)SCC(C)C)C(C)C
InChIInChI=1S/C11H22N2O2S/c1-7(2)6-16-11(13-15)9(8(3)4)10(14)12-5/h7-9,15H,6H2,1-5H3,(H,12,14)/b13-11-
InChIKeySXDKZFDKXYQMFS-QBFSEMIESA-N
MW246.38 g/mol
LogP2.18
Rot. Bonds5

About 2-methylpropyl (1Z)-N-hydroxy-3-methyl-2-(methylcarbamoyl)butanimidothioate

2-methylpropyl (1Z)-N-hydroxy-3-methyl-2-(methylcarbamoyl)butanimidothioate (PubChem CID 88842791) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 2-methylpropyl (1Z)-N-hydroxy-3-methyl-2-(methylcarbamoyl)butanimidothioate.

Molecular Properties

Compound Name2-methylpropyl (1Z)-N-hydroxy-3-methyl-2-(methylcarbamoyl)butanimidothioate
PubChem CID88842791
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC Name2-methylpropyl (1Z)-N-hydroxy-3-methyl-2-(methylcarbamoyl)butanimidothioate
SMILESCNC(=O)C(/C(=N/O)SCC(C)C)C(C)C
InChIInChI=1S/C11H22N2O2S/c1-7(2)6-16-11(13-15)9(8(3)4)10(14)12-5/h7-9,15H,6H2,1-5H3,(H,12,14)/b13-11-
InChIKeySXDKZFDKXYQMFS-QBFSEMIESA-N
XLogP2.18
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 52.18
H-Bond Donors ≤ 52
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 2-methylpropyl (1Z)-N-hydroxy-3-methyl-2-(methylcarbamoyl)butanimidothioate 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

methyl 2-methylpropylsulfanylformate
CID 178163148
N,4-dimethyl-2-(methylamino)pentanamide
CID 72516454
2-methylpropyl N-(methylcarbamoyloxy)propanimidothioate
CID 173461736
2-(N'-hydroxycarbamimidoyl)-3-methyl-N-(5-methylhexyl)butanamide
CID 113287774
2-[(1-amino-1-hydroxyiminopropan-2-yl)amino]-N-methylpropanamide
CID 77031758
potassium 2-methylpropylsulfanylmethanethioate
CID 23716794
ethylsulfanylmethyl N-hydroxy-3-(methylamino)-2-(1-methylcyclobutyl)-3-oxopropanimidothioate
CID 152749612
N,2,5-trimethylhexanamide
CID 78065622
(2R)-2-(chloroamino)-N,3-dimethylbutanamide
CID 88902514
(2R)-2-amino-3-[[(2R)-2-amino-3-(methylamino)-3-oxopropyl]disulfanyl]-N-methylpropanamide
CID 142641958
N-methyl-2-(methylamino)-3-nitrososulfanylpropanamide
CID 123221245
(2S)-2-bromo-N,4-dimethylpentanamide
CID 59001731

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl (1Z)-N-hydroxy-3-methyl-2-(methylcarbamoyl)butanimidothioate?
The IUPAC name of 2-methylpropyl (1Z)-N-hydroxy-3-methyl-2-(methylcarbamoyl)butanimidothioate (CID 88842791) is 2-methylpropyl (1Z)-N-hydroxy-3-methyl-2-(methylcarbamoyl)butanimidothioate.
What is the SMILES notation for 2-methylpropyl (1Z)-N-hydroxy-3-methyl-2-(methylcarbamoyl)butanimidothioate?
The canonical SMILES for 2-methylpropyl (1Z)-N-hydroxy-3-methyl-2-(methylcarbamoyl)butanimidothioate is CNC(=O)C(/C(=N/O)SCC(C)C)C(C)C.
What is the InChIKey of 2-methylpropyl (1Z)-N-hydroxy-3-methyl-2-(methylcarbamoyl)butanimidothioate?
The InChIKey is SXDKZFDKXYQMFS-QBFSEMIESA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-7(2)6-16-11(13-15)9(8(3)4)10(14)12-5/h7-9,15H,6H2,1-5H3,(H,12,14)/b13-11-.
What are the key properties of 2-methylpropyl (1Z)-N-hydroxy-3-methyl-2-(methylcarbamoyl)butanimidothioate?
2-methylpropyl (1Z)-N-hydroxy-3-methyl-2-(methylcarbamoyl)butanimidothioate has a molecular weight of 246.38 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl (1Z)-N-hydroxy-3-methyl-2-(methylcarbamoyl)butanimidothioate is sourced from PubChem (CID 88842791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).