N'-(1,1-dioxothiolan-3-yl)-2-phenylacetohydrazide

C12H16N2O3S — CID 3805798

IUPACN'-(1,1-dioxothiolan-3-yl)-2-phenylacetohydrazide
SMILESO=C(Cc1ccccc1)NNC1CCS(=O)(=O)C1
InChIInChI=1S/C12H16N2O3S/c15-12(8-10-4-2-1-3-5-10)14-13-11-6-7-18(16,17)9-11/h1-5,11,13H,6-9H2,(H,14,15)
InChIKeyWMPYHOGRYGUFPW-UHFFFAOYSA-N
MW268.34 g/mol
LogP0.04
Rot. Bonds4

About N'-(1,1-dioxothiolan-3-yl)-2-phenylacetohydrazide

N'-(1,1-dioxothiolan-3-yl)-2-phenylacetohydrazide (PubChem CID 3805798) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is N'-(1,1-dioxothiolan-3-yl)-2-phenylacetohydrazide.

Molecular Properties

Compound NameN'-(1,1-dioxothiolan-3-yl)-2-phenylacetohydrazide
PubChem CID3805798
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC NameN'-(1,1-dioxothiolan-3-yl)-2-phenylacetohydrazide
SMILESO=C(Cc1ccccc1)NNC1CCS(=O)(=O)C1
InChIInChI=1S/C12H16N2O3S/c15-12(8-10-4-2-1-3-5-10)14-13-11-6-7-18(16,17)9-11/h1-5,11,13H,6-9H2,(H,14,15)
InChIKeyWMPYHOGRYGUFPW-UHFFFAOYSA-N
XLogP0.04
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(3S)-1,1-dioxothiolan-3-yl]-2-phenylacetamide
CID 40569648
2-benzylsulfanyl-N-(1,1-dioxothiolan-3-yl)acetamide
CID 4026635
2-(dibenzylamino)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 51140167
N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 6601801
N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(2-phenylmethoxyacetyl)amino]acetamide
CID 94811329
N-(1,1-dioxothiolan-3-yl)-2-(3-fluorophenyl)acetamide
CID 51240347
[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 7703857
2-(4-benzylpiperazin-1-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 30726667
N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 40634625
1-(1,1-dioxothiolan-3-yl)-3-(3-phenylmethoxypropyl)urea
CID 51081517
N-[(3R)-1,1-dioxothiolan-3-yl]-2-naphthalen-1-ylacetamide
CID 27710322
N-(1,1-dioxothiolan-3-yl)-2-(4-methoxyphenyl)acetamide
CID 17013970

Frequently Asked Questions

What is the IUPAC name of N'-(1,1-dioxothiolan-3-yl)-2-phenylacetohydrazide?
The IUPAC name of N'-(1,1-dioxothiolan-3-yl)-2-phenylacetohydrazide (CID 3805798) is N'-(1,1-dioxothiolan-3-yl)-2-phenylacetohydrazide.
What is the SMILES notation for N'-(1,1-dioxothiolan-3-yl)-2-phenylacetohydrazide?
The canonical SMILES for N'-(1,1-dioxothiolan-3-yl)-2-phenylacetohydrazide is O=C(Cc1ccccc1)NNC1CCS(=O)(=O)C1.
What is the InChIKey of N'-(1,1-dioxothiolan-3-yl)-2-phenylacetohydrazide?
The InChIKey is WMPYHOGRYGUFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c15-12(8-10-4-2-1-3-5-10)14-13-11-6-7-18(16,17)9-11/h1-5,11,13H,6-9H2,(H,14,15).
What are the key properties of N'-(1,1-dioxothiolan-3-yl)-2-phenylacetohydrazide?
N'-(1,1-dioxothiolan-3-yl)-2-phenylacetohydrazide has a molecular weight of 268.34 g/mol, XLogP of 0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,1-dioxothiolan-3-yl)-2-phenylacetohydrazide is sourced from PubChem (CID 3805798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).