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

C4H12ClN2O2S+ — CID 155928072

IUPAC[(1,1-dioxothiolan-3-yl)amino]azanium;hydrochloride
SMILESCl.[NH3+]NC1CCS(=O)(=O)C1
InChIInChI=1S/C4H10N2O2S.ClH/c5-6-4-1-2-9(7,8)3-4;/h4,6H,1-3,5H2;1H/p+1
InChIKeyJJAQVUUCQRGKIM-UHFFFAOYSA-O
MW187.67 g/mol
LogP-1.66
Rot. Bonds1

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

[(1,1-dioxothiolan-3-yl)amino]azanium;hydrochloride (PubChem CID 155928072) has the molecular formula C4H12ClN2O2S+ and a molecular weight of 187.67 g/mol. Its IUPAC name is [(1,1-dioxothiolan-3-yl)amino]azanium;hydrochloride.

Molecular Properties

Compound Name[(1,1-dioxothiolan-3-yl)amino]azanium;hydrochloride
PubChem CID155928072
Molecular FormulaC4H12ClN2O2S+
Molecular Weight187.67 g/mol
Exact Mass187.03
IUPAC Name[(1,1-dioxothiolan-3-yl)amino]azanium;hydrochloride
SMILESCl.[NH3+]NC1CCS(=O)(=O)C1
InChIInChI=1S/C4H10N2O2S.ClH/c5-6-4-1-2-9(7,8)3-4;/h4,6H,1-3,5H2;1H/p+1
InChIKeyJJAQVUUCQRGKIM-UHFFFAOYSA-O
XLogP-1.66
TPSA73.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.67
LogP ≤ 5-1.66
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

(1,1-dioxothiolan-3-yl)hydrazine;hydrochloride
CID 2770116
N,N'-bis[(3S)-1,1-dioxothiolan-3-yl]oxamide
CID 7102189
1,3-bis(1,1-dioxothiolan-3-yl)urea
CID 2831152
(3R)-N-cyclopentyl-1,1-dioxothiolan-3-amine
CID 7129043
(3R)-N-[[[(3R)-1,1-dioxothiolan-3-yl]amino]-[[(3S)-1,1-dioxothiolan-3-yl]amino]phosphoryl]-1,1-dioxothiolan-3-amine
CID 98143335
N'-(1,1-dioxothiolan-3-yl)ethane-1,2-diamine;hydrochloride
CID 146012772
N-(1,1-dioxothiolan-3-yl)carbamoyl iodide
CID 126633838
N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 7114858
N-cyclopropyl-N'-(1,1-dioxothiolan-3-yl)oxamide
CID 108526860
N'-(1,1-dioxothiolan-3-yl)ethane-1,2-diamine
CID 2772236
N-[(1,1-dioxothiolan-3-yl)methyl]-1,1-dioxothiolan-3-amine
CID 61057897
2-[[(3S)-1,1-dioxothiolan-3-yl]amino]ethanol
CID 7058904

Frequently Asked Questions

What is the IUPAC name of [(1,1-dioxothiolan-3-yl)amino]azanium;hydrochloride?
The IUPAC name of [(1,1-dioxothiolan-3-yl)amino]azanium;hydrochloride (CID 155928072) is [(1,1-dioxothiolan-3-yl)amino]azanium;hydrochloride.
What is the SMILES notation for [(1,1-dioxothiolan-3-yl)amino]azanium;hydrochloride?
The canonical SMILES for [(1,1-dioxothiolan-3-yl)amino]azanium;hydrochloride is Cl.[NH3+]NC1CCS(=O)(=O)C1.
What is the InChIKey of [(1,1-dioxothiolan-3-yl)amino]azanium;hydrochloride?
The InChIKey is JJAQVUUCQRGKIM-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H10N2O2S.ClH/c5-6-4-1-2-9(7,8)3-4;/h4,6H,1-3,5H2;1H/p+1.
What are the key properties of [(1,1-dioxothiolan-3-yl)amino]azanium;hydrochloride?
[(1,1-dioxothiolan-3-yl)amino]azanium;hydrochloride has a molecular weight of 187.67 g/mol, XLogP of -1.66, 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;hydrochloride is sourced from PubChem (CID 155928072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).