1-cyclopentyl-7,7-dioxo-7λ6-thia-1,3-diazaspiro[4.4]non-2-en-2-amine

C11H19N3O2S — CID 79520591

IUPAC1-cyclopentyl-7,7-dioxo-7λ6-thia-1,3-diazaspiro[4.4]non-2-en-2-amine
SMILESNC1=NCC2(CCS(=O)(=O)C2)N1C1CCCC1
InChIInChI=1S/C11H19N3O2S/c12-10-13-7-11(5-6-17(15,16)8-11)14(10)9-3-1-2-4-9/h9H,1-8H2,(H2,12,13)
InChIKeyLZZSGSIPRAHMDH-UHFFFAOYSA-N
MW257.36 g/mol
LogP0.12
Rot. Bonds1

About 1-cyclopentyl-7,7-dioxo-7λ6-thia-1,3-diazaspiro[4.4]non-2-en-2-amine

1-cyclopentyl-7,7-dioxo-7λ6-thia-1,3-diazaspiro[4.4]non-2-en-2-amine (PubChem CID 79520591) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 1-cyclopentyl-7,7-dioxo-7λ6-thia-1,3-diazaspiro[4.4]non-2-en-2-amine.

Molecular Properties

Compound Name1-cyclopentyl-7,7-dioxo-7λ6-thia-1,3-diazaspiro[4.4]non-2-en-2-amine
PubChem CID79520591
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name1-cyclopentyl-7,7-dioxo-7λ6-thia-1,3-diazaspiro[4.4]non-2-en-2-amine
SMILESNC1=NCC2(CCS(=O)(=O)C2)N1C1CCCC1
InChIInChI=1S/C11H19N3O2S/c12-10-13-7-11(5-6-17(15,16)8-11)14(10)9-3-1-2-4-9/h9H,1-8H2,(H2,12,13)
InChIKeyLZZSGSIPRAHMDH-UHFFFAOYSA-N
XLogP0.12
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-7,7-dioxo-7λ6-thia-1,3-diazaspiro[4.4]non-2-en-2-amine?
The IUPAC name of 1-cyclopentyl-7,7-dioxo-7λ6-thia-1,3-diazaspiro[4.4]non-2-en-2-amine (CID 79520591) is 1-cyclopentyl-7,7-dioxo-7λ6-thia-1,3-diazaspiro[4.4]non-2-en-2-amine.
What is the SMILES notation for 1-cyclopentyl-7,7-dioxo-7λ6-thia-1,3-diazaspiro[4.4]non-2-en-2-amine?
The canonical SMILES for 1-cyclopentyl-7,7-dioxo-7λ6-thia-1,3-diazaspiro[4.4]non-2-en-2-amine is NC1=NCC2(CCS(=O)(=O)C2)N1C1CCCC1.
What is the InChIKey of 1-cyclopentyl-7,7-dioxo-7λ6-thia-1,3-diazaspiro[4.4]non-2-en-2-amine?
The InChIKey is LZZSGSIPRAHMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c12-10-13-7-11(5-6-17(15,16)8-11)14(10)9-3-1-2-4-9/h9H,1-8H2,(H2,12,13).
What are the key properties of 1-cyclopentyl-7,7-dioxo-7λ6-thia-1,3-diazaspiro[4.4]non-2-en-2-amine?
1-cyclopentyl-7,7-dioxo-7λ6-thia-1,3-diazaspiro[4.4]non-2-en-2-amine has a molecular weight of 257.36 g/mol, XLogP of 0.12, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-7,7-dioxo-7λ6-thia-1,3-diazaspiro[4.4]non-2-en-2-amine is sourced from PubChem (CID 79520591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).