[1-(1,1-dioxothiolan-3-yl)-3-thiophen-2-ylpropan-2-yl]hydrazine

C11H18N2O2S2 — CID 105295494

IUPAC[1-(1,1-dioxothiolan-3-yl)-3-thiophen-2-ylpropan-2-yl]hydrazine
SMILESNNC(Cc1cccs1)CC1CCS(=O)(=O)C1
InChIInChI=1S/C11H18N2O2S2/c12-13-10(7-11-2-1-4-16-11)6-9-3-5-17(14,15)8-9/h1-2,4,9-10,13H,3,5-8,12H2
InChIKeyVBFNLXKWUPSYNF-UHFFFAOYSA-N
MW274.41 g/mol
LogP0.95
Rot. Bonds5

About [1-(1,1-dioxothiolan-3-yl)-3-thiophen-2-ylpropan-2-yl]hydrazine

[1-(1,1-dioxothiolan-3-yl)-3-thiophen-2-ylpropan-2-yl]hydrazine (PubChem CID 105295494) has the molecular formula C11H18N2O2S2 and a molecular weight of 274.41 g/mol. Its IUPAC name is [1-(1,1-dioxothiolan-3-yl)-3-thiophen-2-ylpropan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(1,1-dioxothiolan-3-yl)-3-thiophen-2-ylpropan-2-yl]hydrazine
PubChem CID105295494
Molecular FormulaC11H18N2O2S2
Molecular Weight274.41 g/mol
Exact Mass274.08
IUPAC Name[1-(1,1-dioxothiolan-3-yl)-3-thiophen-2-ylpropan-2-yl]hydrazine
SMILESNNC(Cc1cccs1)CC1CCS(=O)(=O)C1
InChIInChI=1S/C11H18N2O2S2/c12-13-10(7-11-2-1-4-16-11)6-9-3-5-17(14,15)8-9/h1-2,4,9-10,13H,3,5-8,12H2
InChIKeyVBFNLXKWUPSYNF-UHFFFAOYSA-N
XLogP0.95
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[1-(1,1-dioxothiolan-3-yl)-3-phenylpropan-2-yl]hydrazine
CID 105283106
[1-(1,1-dioxothiolan-3-yl)-3-(2-methylphenyl)propan-2-yl]hydrazine
CID 105285193
[1-(1,4-dimethylpiperazin-2-yl)-3-thiophen-2-ylpropan-2-yl]hydrazine
CID 105260267
[1-(1,1-dioxothiolan-3-yl)-3-(4-fluoro-2-methylphenyl)propan-2-yl]hydrazine
CID 105340830
thiophen-2-ylmethyl 2-[(3S)-1,1-dioxothiolan-3-yl]acetate
CID 95586548
3-(1-bromo-3-thiophen-2-ylpropan-2-yl)thiolane 1,1-dioxide
CID 66050609
[1-(1-butan-2-ylpyrazol-3-yl)-3-(1,1-dioxothiolan-3-yl)propan-2-yl]hydrazine
CID 105312568
1-(1,1-dioxothiolan-3-yl)hex-4-yn-2-ylhydrazine
CID 105290634
N-[(1,1-dioxothiolan-3-yl)methyl]-1-thiophen-2-ylethanamine
CID 61057423
[1-(1,1-dioxothiolan-3-yl)-6-methylheptan-2-yl]hydrazine
CID 105331286
[1-(1,1-dioxothiolan-3-yl)-4-methylhexan-2-yl]hydrazine
CID 105298532
1-(1,1-dioxothiolan-3-yl)-N-methyl-3-thiophen-3-ylpropan-2-amine
CID 105137616

Frequently Asked Questions

What is the IUPAC name of [1-(1,1-dioxothiolan-3-yl)-3-thiophen-2-ylpropan-2-yl]hydrazine?
The IUPAC name of [1-(1,1-dioxothiolan-3-yl)-3-thiophen-2-ylpropan-2-yl]hydrazine (CID 105295494) is [1-(1,1-dioxothiolan-3-yl)-3-thiophen-2-ylpropan-2-yl]hydrazine.
What is the SMILES notation for [1-(1,1-dioxothiolan-3-yl)-3-thiophen-2-ylpropan-2-yl]hydrazine?
The canonical SMILES for [1-(1,1-dioxothiolan-3-yl)-3-thiophen-2-ylpropan-2-yl]hydrazine is NNC(Cc1cccs1)CC1CCS(=O)(=O)C1.
What is the InChIKey of [1-(1,1-dioxothiolan-3-yl)-3-thiophen-2-ylpropan-2-yl]hydrazine?
The InChIKey is VBFNLXKWUPSYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S2/c12-13-10(7-11-2-1-4-16-11)6-9-3-5-17(14,15)8-9/h1-2,4,9-10,13H,3,5-8,12H2.
What are the key properties of [1-(1,1-dioxothiolan-3-yl)-3-thiophen-2-ylpropan-2-yl]hydrazine?
[1-(1,1-dioxothiolan-3-yl)-3-thiophen-2-ylpropan-2-yl]hydrazine has a molecular weight of 274.41 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,1-dioxothiolan-3-yl)-3-thiophen-2-ylpropan-2-yl]hydrazine is sourced from PubChem (CID 105295494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).