1,1-dioxothian-3-amine;molecular hydrogen

C5H13NO2S — CID 144580552

IUPAC1,1-dioxothian-3-amine;molecular hydrogen
SMILESNC1CCCS(=O)(=O)C1.[H][H]
InChIInChI=1S/C5H11NO2S.H2/c6-5-2-1-3-9(7,8)4-5;/h5H,1-4,6H2;1H
InChIKeyPDWFYAUJXSZYMO-UHFFFAOYSA-N
MW151.23 g/mol
LogP-0.23
Rot. Bonds

About 1,1-dioxothian-3-amine;molecular hydrogen

1,1-dioxothian-3-amine;molecular hydrogen (PubChem CID 144580552) has the molecular formula C5H13NO2S and a molecular weight of 151.23 g/mol. Its IUPAC name is 1,1-dioxothian-3-amine;molecular hydrogen.

Molecular Properties

Compound Name1,1-dioxothian-3-amine;molecular hydrogen
PubChem CID144580552
Molecular FormulaC5H13NO2S
Molecular Weight151.23 g/mol
Exact Mass151.07
IUPAC Name1,1-dioxothian-3-amine;molecular hydrogen
SMILESNC1CCCS(=O)(=O)C1.[H][H]
InChIInChI=1S/C5H11NO2S.H2/c6-5-2-1-3-9(7,8)4-5;/h5H,1-4,6H2;1H
InChIKeyPDWFYAUJXSZYMO-UHFFFAOYSA-N
XLogP-0.23
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.23
LogP ≤ 5-0.23
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;molecular hydrogen?
The IUPAC name of 1,1-dioxothian-3-amine;molecular hydrogen (CID 144580552) is 1,1-dioxothian-3-amine;molecular hydrogen.
What is the SMILES notation for 1,1-dioxothian-3-amine;molecular hydrogen?
The canonical SMILES for 1,1-dioxothian-3-amine;molecular hydrogen is NC1CCCS(=O)(=O)C1.[H][H].
What is the InChIKey of 1,1-dioxothian-3-amine;molecular hydrogen?
The InChIKey is PDWFYAUJXSZYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2S.H2/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;molecular hydrogen?
1,1-dioxothian-3-amine;molecular hydrogen has a molecular weight of 151.23 g/mol, XLogP of -0.23, 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;molecular hydrogen is sourced from PubChem (CID 144580552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).