N-(1-hydrazinyl-1-oxo-4-sulfanylidenebutan-2-yl)acetamide

C6H11N3O2S — CID 19107252

IUPACN-(1-hydrazinyl-1-oxo-4-sulfanylidenebutan-2-yl)acetamide
SMILESCC(=O)NC(CC=S)C(=O)NN
InChIInChI=1S/C6H11N3O2S/c1-4(10)8-5(2-3-12)6(11)9-7/h3,5H,2,7H2,1H3,(H,8,10)(H,9,11)
InChIKeyBIIQVCGCDLONKT-UHFFFAOYSA-N
MW189.24 g/mol
LogP-1.13
Rot. Bonds4

About N-(1-hydrazinyl-1-oxo-4-sulfanylidenebutan-2-yl)acetamide

N-(1-hydrazinyl-1-oxo-4-sulfanylidenebutan-2-yl)acetamide (PubChem CID 19107252) has the molecular formula C6H11N3O2S and a molecular weight of 189.24 g/mol. Its IUPAC name is N-(1-hydrazinyl-1-oxo-4-sulfanylidenebutan-2-yl)acetamide.

Molecular Properties

Compound NameN-(1-hydrazinyl-1-oxo-4-sulfanylidenebutan-2-yl)acetamide
PubChem CID19107252
Molecular FormulaC6H11N3O2S
Molecular Weight189.24 g/mol
Exact Mass189.06
IUPAC NameN-(1-hydrazinyl-1-oxo-4-sulfanylidenebutan-2-yl)acetamide
SMILESCC(=O)NC(CC=S)C(=O)NN
InChIInChI=1S/C6H11N3O2S/c1-4(10)8-5(2-3-12)6(11)9-7/h3,5H,2,7H2,1H3,(H,8,10)(H,9,11)
InChIKeyBIIQVCGCDLONKT-UHFFFAOYSA-N
XLogP-1.13
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 5-1.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-Acetamido-4-mercaptobutanoic acid hydrazide
CID 2762577
DL-Methionine, 2-(1-methylethyl)hydrazide
CID 298113
N-(1-hydrazinyl-3-methylsulfanyl-1-oxopropan-2-yl)acetamide
CID 13059385
S-methyl-N-acetyl-cysteinylhydrazine
CID 13059386
N-[1-[amino(methyl)amino]-3-methylsulfanyl-1-oxopropan-2-yl]acetamide
CID 13059391
N-methyl-N-(S-methyl-N-acetylcysteinyl)-hydrazine
CID 13059392
N-[1-(2-methylhydrazinyl)-3-methylsulfanyl-1-oxopropan-2-yl]acetamide
CID 13293269
N-[1-[methyl(methylamino)amino]-3-methylsulfanyl-1-oxopropan-2-yl]acetamide
CID 20464866
N-[(2S)-4-methylsulfanyl-1-oxo-1-(2-propan-2-ylhydrazinyl)butan-2-yl]acetamide
CID 21140434
N-[(2R)-1-[methyl(methylamino)amino]-3-methylsulfanyl-1-oxopropan-2-yl]acetamide
CID 22826188
N-[(2R)-1-(2-methylhydrazinyl)-3-methylsulfanyl-1-oxopropan-2-yl]acetamide
CID 22826189
N-(1-hydrazinyl-1-oxopropan-2-yl)-3-[[3-[(1-hydrazinyl-1-oxopropan-2-yl)amino]-3-oxopropyl]disulfanyl]propanamide
CID 25104334

Frequently Asked Questions

What is the IUPAC name of N-(1-hydrazinyl-1-oxo-4-sulfanylidenebutan-2-yl)acetamide?
The IUPAC name of N-(1-hydrazinyl-1-oxo-4-sulfanylidenebutan-2-yl)acetamide (CID 19107252) is N-(1-hydrazinyl-1-oxo-4-sulfanylidenebutan-2-yl)acetamide.
What is the SMILES notation for N-(1-hydrazinyl-1-oxo-4-sulfanylidenebutan-2-yl)acetamide?
The canonical SMILES for N-(1-hydrazinyl-1-oxo-4-sulfanylidenebutan-2-yl)acetamide is CC(=O)NC(CC=S)C(=O)NN.
What is the InChIKey of N-(1-hydrazinyl-1-oxo-4-sulfanylidenebutan-2-yl)acetamide?
The InChIKey is BIIQVCGCDLONKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2S/c1-4(10)8-5(2-3-12)6(11)9-7/h3,5H,2,7H2,1H3,(H,8,10)(H,9,11).
What are the key properties of N-(1-hydrazinyl-1-oxo-4-sulfanylidenebutan-2-yl)acetamide?
N-(1-hydrazinyl-1-oxo-4-sulfanylidenebutan-2-yl)acetamide has a molecular weight of 189.24 g/mol, XLogP of -1.13, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydrazinyl-1-oxo-4-sulfanylidenebutan-2-yl)acetamide is sourced from PubChem (CID 19107252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).