2,2-dimethyl-3-(oxetan-3-ylsulfanyl)propanehydrazide

C8H16N2O2S — CID 79631577

IUPAC2,2-dimethyl-3-(oxetan-3-ylsulfanyl)propanehydrazide
SMILESCC(C)(CSC1COC1)C(=O)NN
InChIInChI=1S/C8H16N2O2S/c1-8(2,7(11)10-9)5-13-6-3-12-4-6/h6H,3-5,9H2,1-2H3,(H,10,11)
InChIKeyUGORKFDKQXGSJT-UHFFFAOYSA-N
MW204.29 g/mol
LogP0.13
Rot. Bonds4

About 2,2-dimethyl-3-(oxetan-3-ylsulfanyl)propanehydrazide

2,2-dimethyl-3-(oxetan-3-ylsulfanyl)propanehydrazide (PubChem CID 79631577) has the molecular formula C8H16N2O2S and a molecular weight of 204.29 g/mol. Its IUPAC name is 2,2-dimethyl-3-(oxetan-3-ylsulfanyl)propanehydrazide.

Molecular Properties

Compound Name2,2-dimethyl-3-(oxetan-3-ylsulfanyl)propanehydrazide
PubChem CID79631577
Molecular FormulaC8H16N2O2S
Molecular Weight204.29 g/mol
Exact Mass204.09
IUPAC Name2,2-dimethyl-3-(oxetan-3-ylsulfanyl)propanehydrazide
SMILESCC(C)(CSC1COC1)C(=O)NN
InChIInChI=1S/C8H16N2O2S/c1-8(2,7(11)10-9)5-13-6-3-12-4-6/h6H,3-5,9H2,1-2H3,(H,10,11)
InChIKeyUGORKFDKQXGSJT-UHFFFAOYSA-N
XLogP0.13
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-2-methyl-3-(oxetan-3-ylsulfanyl)propanoic acid
CID 79326790
2-methyl-3-(oxetan-3-ylsulfanyl)-2-(propan-2-ylamino)propanamide
CID 79325666
3-amino-2,2-dimethylpropanehydrazide
CID 115426740
3-butan-2-ylsulfanyl-2,2-dimethylpropanehydrazide
CID 79631659
2-methyl-2-(oxan-4-ylsulfanyl)propanehydrazide
CID 163881817
methyl 2-cyclopropyl-2-(cyclopropylamino)-3-(oxetan-3-ylsulfanyl)propanoate
CID 79327118
2-amino-3-(oxetan-3-ylsulfanyl)-2-phenylpropanoic acid
CID 79326681
2,2-dimethyl-3-(1,3-oxazol-2-ylsulfanyl)propanehydrazide
CID 106926213
2-(cyclopropylamino)-2-methyl-5-(oxetan-3-ylsulfanyl)pentanamide
CID 79326236
3-(3,4-dimethylpyrrolidin-1-yl)-2,2-dimethylpropanehydrazide
CID 79631732
2-methyl-4-(oxetan-3-ylsulfanyl)-2-(propan-2-ylamino)butanoic acid
CID 79326686
4-(3-hydrazinyl-2,2-dimethyl-3-oxopropyl)-N-methylmorpholine-3-carboxamide
CID 83105959

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(oxetan-3-ylsulfanyl)propanehydrazide?
The IUPAC name of 2,2-dimethyl-3-(oxetan-3-ylsulfanyl)propanehydrazide (CID 79631577) is 2,2-dimethyl-3-(oxetan-3-ylsulfanyl)propanehydrazide.
What is the SMILES notation for 2,2-dimethyl-3-(oxetan-3-ylsulfanyl)propanehydrazide?
The canonical SMILES for 2,2-dimethyl-3-(oxetan-3-ylsulfanyl)propanehydrazide is CC(C)(CSC1COC1)C(=O)NN.
What is the InChIKey of 2,2-dimethyl-3-(oxetan-3-ylsulfanyl)propanehydrazide?
The InChIKey is UGORKFDKQXGSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2S/c1-8(2,7(11)10-9)5-13-6-3-12-4-6/h6H,3-5,9H2,1-2H3,(H,10,11).
What are the key properties of 2,2-dimethyl-3-(oxetan-3-ylsulfanyl)propanehydrazide?
2,2-dimethyl-3-(oxetan-3-ylsulfanyl)propanehydrazide has a molecular weight of 204.29 g/mol, XLogP of 0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(oxetan-3-ylsulfanyl)propanehydrazide is sourced from PubChem (CID 79631577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).