1,1-dioxothiolan-3-amine;hydron;chloride

C4H10ClNO2S — CID 91979966

IUPAC1,1-dioxothiolan-3-amine;hydron;chloride
SMILESNC1CCS(=O)(=O)C1.[Cl-].[H+]
InChIInChI=1S/C4H9NO2S.ClH/c5-4-1-2-8(6,7)3-4;/h4H,1-3,5H2;1H
InChIKeyMGZQMSFXPSKBDY-UHFFFAOYSA-N
MW171.65 g/mol
LogP-3.75
Rot. Bonds

About 1,1-dioxothiolan-3-amine;hydron;chloride

1,1-dioxothiolan-3-amine;hydron;chloride (PubChem CID 91979966) has the molecular formula C4H10ClNO2S and a molecular weight of 171.65 g/mol. Its IUPAC name is 1,1-dioxothiolan-3-amine;hydron;chloride.

Molecular Properties

Compound Name1,1-dioxothiolan-3-amine;hydron;chloride
PubChem CID91979966
Molecular FormulaC4H10ClNO2S
Molecular Weight171.65 g/mol
Exact Mass171.01
IUPAC Name1,1-dioxothiolan-3-amine;hydron;chloride
SMILESNC1CCS(=O)(=O)C1.[Cl-].[H+]
InChIInChI=1S/C4H9NO2S.ClH/c5-4-1-2-8(6,7)3-4;/h4H,1-3,5H2;1H
InChIKeyMGZQMSFXPSKBDY-UHFFFAOYSA-N
XLogP-3.75
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.65
LogP ≤ 5-3.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1-dioxothiolan-3-amine;hydron;chloride?
The IUPAC name of 1,1-dioxothiolan-3-amine;hydron;chloride (CID 91979966) is 1,1-dioxothiolan-3-amine;hydron;chloride.
What is the SMILES notation for 1,1-dioxothiolan-3-amine;hydron;chloride?
The canonical SMILES for 1,1-dioxothiolan-3-amine;hydron;chloride is NC1CCS(=O)(=O)C1.[Cl-].[H+].
What is the InChIKey of 1,1-dioxothiolan-3-amine;hydron;chloride?
The InChIKey is MGZQMSFXPSKBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2S.ClH/c5-4-1-2-8(6,7)3-4;/h4H,1-3,5H2;1H.
What are the key properties of 1,1-dioxothiolan-3-amine;hydron;chloride?
1,1-dioxothiolan-3-amine;hydron;chloride has a molecular weight of 171.65 g/mol, XLogP of -3.75, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxothiolan-3-amine;hydron;chloride is sourced from PubChem (CID 91979966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).