1,1-dioxo-N-propylthiolan-3-amine

C7H15NO2S — CID 3703923

IUPAC1,1-dioxo-N-propylthiolan-3-amine
SMILESCCCNC1CCS(=O)(=O)C1
InChIInChI=1S/C7H15NO2S/c1-2-4-8-7-3-5-11(9,10)6-7/h7-8H,2-6H2,1H3
InChIKeyPOJSXHDVRJSEOP-UHFFFAOYSA-N
MW177.27 g/mol
LogP0.17
Rot. Bonds3

About 1,1-dioxo-N-propylthiolan-3-amine

1,1-dioxo-N-propylthiolan-3-amine (PubChem CID 3703923) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is 1,1-dioxo-N-propylthiolan-3-amine.

Molecular Properties

Compound Name1,1-dioxo-N-propylthiolan-3-amine
PubChem CID3703923
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC Name1,1-dioxo-N-propylthiolan-3-amine
SMILESCCCNC1CCS(=O)(=O)C1
InChIInChI=1S/C7H15NO2S/c1-2-4-8-7-3-5-11(9,10)6-7/h7-8H,2-6H2,1H3
InChIKeyPOJSXHDVRJSEOP-UHFFFAOYSA-N
XLogP0.17
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-N-propylthiolan-3-amine?
The IUPAC name of 1,1-dioxo-N-propylthiolan-3-amine (CID 3703923) is 1,1-dioxo-N-propylthiolan-3-amine.
What is the SMILES notation for 1,1-dioxo-N-propylthiolan-3-amine?
The canonical SMILES for 1,1-dioxo-N-propylthiolan-3-amine is CCCNC1CCS(=O)(=O)C1.
What is the InChIKey of 1,1-dioxo-N-propylthiolan-3-amine?
The InChIKey is POJSXHDVRJSEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-2-4-8-7-3-5-11(9,10)6-7/h7-8H,2-6H2,1H3.
What are the key properties of 1,1-dioxo-N-propylthiolan-3-amine?
1,1-dioxo-N-propylthiolan-3-amine has a molecular weight of 177.27 g/mol, XLogP of 0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-N-propylthiolan-3-amine is sourced from PubChem (CID 3703923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).