[(1,1-dioxothiolan-3-yl)amino]azanium

C4H11N2O2S+ — CID 3673115

IUPAC[(1,1-dioxothiolan-3-yl)amino]azanium
SMILES[NH3+]NC1CCS(=O)(=O)C1
InChIInChI=1S/C4H10N2O2S/c5-6-4-1-2-9(7,8)3-4/h4,6H,1-3,5H2/p+1
InChIKeyDBBOTJJFLMUEIN-UHFFFAOYSA-O
MW151.21 g/mol
LogP-2.08
Rot. Bonds1

About [(1,1-dioxothiolan-3-yl)amino]azanium

[(1,1-dioxothiolan-3-yl)amino]azanium (PubChem CID 3673115) has the molecular formula C4H11N2O2S+ and a molecular weight of 151.21 g/mol. Its IUPAC name is [(1,1-dioxothiolan-3-yl)amino]azanium.

Molecular Properties

Compound Name[(1,1-dioxothiolan-3-yl)amino]azanium
PubChem CID3673115
Molecular FormulaC4H11N2O2S+
Molecular Weight151.21 g/mol
Exact Mass151.05
IUPAC Name[(1,1-dioxothiolan-3-yl)amino]azanium
SMILES[NH3+]NC1CCS(=O)(=O)C1
InChIInChI=1S/C4H10N2O2S/c5-6-4-1-2-9(7,8)3-4/h4,6H,1-3,5H2/p+1
InChIKeyDBBOTJJFLMUEIN-UHFFFAOYSA-O
XLogP-2.08
TPSA73.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 5-2.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(tetrahydro-3-thienyl)hydrazine S,S-dioxide
CID 103013
2-(1,1-Dioxidotetrahydrothien-3-yl)-1,1-dimethylhydrazine hydrochloride
CID 11958842
4-Hydrazinyl-1lambda6-thiane-1,1-dione hydrochloride
CID 71758277
2-(1,1-Dioxidotetrahydrothiophen-3-yl)-1,1-dimethylhydrazine
CID 3152335
[(1,1-Dioxothiolan-3-yl)amino]azanium;chloride
CID 2736526
(1,1-Dioxidotetrahydrothien-3-yl)hydrazine hydrochloride
CID 2770116
4-Hydrazinyltetrahydro-2H-thiopyran 1,1-dioxide
CID 61278929
3-Hydrazinyl-1lambda6-thiane-1,1-dione
CID 63923655
2-(1,1-Dioxothiolan-3-yl)-1,1-dimethylhydrazine chloride
CID 53346909
1,2-Bis(1,1-dioxidotetrahydrothiophen-3-yl)hydrazine
CID 3835114
(1,1-Dioxothiolan-2-yl)hydrazine
CID 21507127
(1,1-Dihydroxythiolan-3-yl)hydrazine
CID 53404006

Frequently Asked Questions

What is the IUPAC name of [(1,1-dioxothiolan-3-yl)amino]azanium?
The IUPAC name of [(1,1-dioxothiolan-3-yl)amino]azanium (CID 3673115) is [(1,1-dioxothiolan-3-yl)amino]azanium.
What is the SMILES notation for [(1,1-dioxothiolan-3-yl)amino]azanium?
The canonical SMILES for [(1,1-dioxothiolan-3-yl)amino]azanium is [NH3+]NC1CCS(=O)(=O)C1.
What is the InChIKey of [(1,1-dioxothiolan-3-yl)amino]azanium?
The InChIKey is DBBOTJJFLMUEIN-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H10N2O2S/c5-6-4-1-2-9(7,8)3-4/h4,6H,1-3,5H2/p+1.
What are the key properties of [(1,1-dioxothiolan-3-yl)amino]azanium?
[(1,1-dioxothiolan-3-yl)amino]azanium has a molecular weight of 151.21 g/mol, XLogP of -2.08, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1,1-dioxothiolan-3-yl)amino]azanium is sourced from PubChem (CID 3673115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).