N-cyclopropyl-2,2-dioxo-2λ6-thiaspiro[3.5]nonan-7-amine

C11H19NO2S — CID 165454557

IUPACN-cyclopropyl-2,2-dioxo-2λ6-thiaspiro[3.5]nonan-7-amine
SMILESO=S1(=O)CC2(CCC(NC3CC3)CC2)C1
InChIInChI=1S/C11H19NO2S/c13-15(14)7-11(8-15)5-3-10(4-6-11)12-9-1-2-9/h9-10,12H,1-8H2
InChIKeyDIOBAKZEVSNUAM-UHFFFAOYSA-N
MW229.34 g/mol
LogP1.10
Rot. Bonds2

About N-cyclopropyl-2,2-dioxo-2λ6-thiaspiro[3.5]nonan-7-amine

N-cyclopropyl-2,2-dioxo-2λ6-thiaspiro[3.5]nonan-7-amine (PubChem CID 165454557) has the molecular formula C11H19NO2S and a molecular weight of 229.34 g/mol. Its IUPAC name is N-cyclopropyl-2,2-dioxo-2λ6-thiaspiro[3.5]nonan-7-amine.

Molecular Properties

Compound NameN-cyclopropyl-2,2-dioxo-2λ6-thiaspiro[3.5]nonan-7-amine
PubChem CID165454557
Molecular FormulaC11H19NO2S
Molecular Weight229.34 g/mol
Exact Mass229.11
IUPAC NameN-cyclopropyl-2,2-dioxo-2λ6-thiaspiro[3.5]nonan-7-amine
SMILESO=S1(=O)CC2(CCC(NC3CC3)CC2)C1
InChIInChI=1S/C11H19NO2S/c13-15(14)7-11(8-15)5-3-10(4-6-11)12-9-1-2-9/h9-10,12H,1-8H2
InChIKeyDIOBAKZEVSNUAM-UHFFFAOYSA-N
XLogP1.10
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2,2-dioxo-2λ6-thiaspiro[3.5]nonan-7-amine?
The IUPAC name of N-cyclopropyl-2,2-dioxo-2λ6-thiaspiro[3.5]nonan-7-amine (CID 165454557) is N-cyclopropyl-2,2-dioxo-2λ6-thiaspiro[3.5]nonan-7-amine.
What is the SMILES notation for N-cyclopropyl-2,2-dioxo-2λ6-thiaspiro[3.5]nonan-7-amine?
The canonical SMILES for N-cyclopropyl-2,2-dioxo-2λ6-thiaspiro[3.5]nonan-7-amine is O=S1(=O)CC2(CCC(NC3CC3)CC2)C1.
What is the InChIKey of N-cyclopropyl-2,2-dioxo-2λ6-thiaspiro[3.5]nonan-7-amine?
The InChIKey is DIOBAKZEVSNUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2S/c13-15(14)7-11(8-15)5-3-10(4-6-11)12-9-1-2-9/h9-10,12H,1-8H2.
What are the key properties of N-cyclopropyl-2,2-dioxo-2λ6-thiaspiro[3.5]nonan-7-amine?
N-cyclopropyl-2,2-dioxo-2λ6-thiaspiro[3.5]nonan-7-amine has a molecular weight of 229.34 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2,2-dioxo-2λ6-thiaspiro[3.5]nonan-7-amine is sourced from PubChem (CID 165454557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).