1,1-dioxothian-3-amine;hydrochloride

C5H12ClNO2S — CID 54592845

IUPAC1,1-dioxothian-3-amine;hydrochloride
SMILESCl.NC1CCCS(=O)(=O)C1
InChIInChI=1S/C5H11NO2S.ClH/c6-5-2-1-3-9(7,8)4-5;/h5H,1-4,6H2;1H
InChIKeyPYDWKUAJMGQFMM-UHFFFAOYSA-N
MW185.68 g/mol
LogP-0.06
Rot. Bonds

About 1,1-dioxothian-3-amine;hydrochloride

1,1-dioxothian-3-amine;hydrochloride (PubChem CID 54592845) has the molecular formula C5H12ClNO2S and a molecular weight of 185.68 g/mol. Its IUPAC name is 1,1-dioxothian-3-amine;hydrochloride.

Molecular Properties

Compound Name1,1-dioxothian-3-amine;hydrochloride
PubChem CID54592845
Molecular FormulaC5H12ClNO2S
Molecular Weight185.68 g/mol
Exact Mass185.03
IUPAC Name1,1-dioxothian-3-amine;hydrochloride
SMILESCl.NC1CCCS(=O)(=O)C1
InChIInChI=1S/C5H11NO2S.ClH/c6-5-2-1-3-9(7,8)4-5;/h5H,1-4,6H2;1H
InChIKeyPYDWKUAJMGQFMM-UHFFFAOYSA-N
XLogP-0.06
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.68
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1-dioxothian-3-amine;hydrochloride?
The IUPAC name of 1,1-dioxothian-3-amine;hydrochloride (CID 54592845) is 1,1-dioxothian-3-amine;hydrochloride.
What is the SMILES notation for 1,1-dioxothian-3-amine;hydrochloride?
The canonical SMILES for 1,1-dioxothian-3-amine;hydrochloride is Cl.NC1CCCS(=O)(=O)C1.
What is the InChIKey of 1,1-dioxothian-3-amine;hydrochloride?
The InChIKey is PYDWKUAJMGQFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2S.ClH/c6-5-2-1-3-9(7,8)4-5;/h5H,1-4,6H2;1H.
What are the key properties of 1,1-dioxothian-3-amine;hydrochloride?
1,1-dioxothian-3-amine;hydrochloride has a molecular weight of 185.68 g/mol, XLogP of -0.06, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxothian-3-amine;hydrochloride is sourced from PubChem (CID 54592845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).