1,1-dioxothiolan-3-amine;sulfuric acid

C4H11NO6S2 — CID 154884353

IUPAC1,1-dioxothiolan-3-amine;sulfuric acid
SMILESNC1CCS(=O)(=O)C1.O=S(=O)(O)O
InChIInChI=1S/C4H9NO2S.H2O4S/c5-4-1-2-8(6,7)3-4;1-5(2,3)4/h4H,1-3,5H2;(H2,1,2,3,4)
InChIKeyKPYWIDAADYISMN-UHFFFAOYSA-N
MW233.27 g/mol
LogP-1.52
Rot. Bonds

About 1,1-dioxothiolan-3-amine;sulfuric acid

1,1-dioxothiolan-3-amine;sulfuric acid (PubChem CID 154884353) has the molecular formula C4H11NO6S2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 1,1-dioxothiolan-3-amine;sulfuric acid.

Molecular Properties

Compound Name1,1-dioxothiolan-3-amine;sulfuric acid
PubChem CID154884353
Molecular FormulaC4H11NO6S2
Molecular Weight233.27 g/mol
Exact Mass233.00
IUPAC Name1,1-dioxothiolan-3-amine;sulfuric acid
SMILESNC1CCS(=O)(=O)C1.O=S(=O)(O)O
InChIInChI=1S/C4H9NO2S.H2O4S/c5-4-1-2-8(6,7)3-4;1-5(2,3)4/h4H,1-3,5H2;(H2,1,2,3,4)
InChIKeyKPYWIDAADYISMN-UHFFFAOYSA-N
XLogP-1.52
TPSA134.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 5-1.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

(3R)-1,1-dioxothiolan-3-amine;hydrochloride
CID 67041261
1,1-dioxothiolan-3-amine;hydrochloride
CID 2795201
(3S,4R)-1,1-dioxothiane-3,4-diamine
CID 124661417
1,1-dioxo-3-[(sulfamoylamino)methyl]thiolane
CID 86706430
(1,1-dioxothiolan-3-yl)azanium acetate
CID 43827459
cyclopropanamine;methanesulfonic acid
CID 87564973
(3S)-1,1-dioxothiolane-3-sulfonate
CID 7088081
(3S,4S)-3-iodo-1,1-dioxothian-4-amine
CID 89493495
(3S,4S)-4-amino-1,1-dioxothiolane-3-sulfonic acid
CID 134811451
2-[(3S)-1,1-dioxothiolan-3-yl]ethanol
CID 39871724
(1,1-dioxothietan-3-yl)methanesulfonic acid
CID 156503243
4-N-(1,1-dioxothiolan-3-yl)-4-N-methylcyclohexane-1,4-diamine
CID 62806024

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxothiolan-3-amine;sulfuric acid?
The IUPAC name of 1,1-dioxothiolan-3-amine;sulfuric acid (CID 154884353) is 1,1-dioxothiolan-3-amine;sulfuric acid.
What is the SMILES notation for 1,1-dioxothiolan-3-amine;sulfuric acid?
The canonical SMILES for 1,1-dioxothiolan-3-amine;sulfuric acid is NC1CCS(=O)(=O)C1.O=S(=O)(O)O.
What is the InChIKey of 1,1-dioxothiolan-3-amine;sulfuric acid?
The InChIKey is KPYWIDAADYISMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2S.H2O4S/c5-4-1-2-8(6,7)3-4;1-5(2,3)4/h4H,1-3,5H2;(H2,1,2,3,4).
What are the key properties of 1,1-dioxothiolan-3-amine;sulfuric acid?
1,1-dioxothiolan-3-amine;sulfuric acid has a molecular weight of 233.27 g/mol, XLogP of -1.52, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxothiolan-3-amine;sulfuric acid is sourced from PubChem (CID 154884353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).