1-[2-(dimethylamino)ethyl]-8,8-dioxo-8λ6-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine

C11H22N4O2S — CID 79496877

IUPAC1-[2-(dimethylamino)ethyl]-8,8-dioxo-8λ6-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCN(C)CCN1C(N)=NCC12CCS(=O)(=O)CC2
InChIInChI=1S/C11H22N4O2S/c1-14(2)5-6-15-10(12)13-9-11(15)3-7-18(16,17)8-4-11/h3-9H2,1-2H3,(H2,12,13)
InChIKeyNDSZERAGQHDVHV-UHFFFAOYSA-N
MW274.39 g/mol
LogP-0.87
Rot. Bonds3

About 1-[2-(dimethylamino)ethyl]-8,8-dioxo-8λ6-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine

1-[2-(dimethylamino)ethyl]-8,8-dioxo-8λ6-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine (PubChem CID 79496877) has the molecular formula C11H22N4O2S and a molecular weight of 274.39 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-8,8-dioxo-8λ6-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-8,8-dioxo-8λ6-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
PubChem CID79496877
Molecular FormulaC11H22N4O2S
Molecular Weight274.39 g/mol
Exact Mass274.15
IUPAC Name1-[2-(dimethylamino)ethyl]-8,8-dioxo-8λ6-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCN(C)CCN1C(N)=NCC12CCS(=O)(=O)CC2
InChIInChI=1S/C11H22N4O2S/c1-14(2)5-6-15-10(12)13-9-11(15)3-7-18(16,17)8-4-11/h3-9H2,1-2H3,(H2,12,13)
InChIKeyNDSZERAGQHDVHV-UHFFFAOYSA-N
XLogP-0.87
TPSA79.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 5-0.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-8,8-dioxo-8λ6-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-8,8-dioxo-8λ6-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine (CID 79496877) is 1-[2-(dimethylamino)ethyl]-8,8-dioxo-8λ6-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-8,8-dioxo-8λ6-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-8,8-dioxo-8λ6-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine is CN(C)CCN1C(N)=NCC12CCS(=O)(=O)CC2.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-8,8-dioxo-8λ6-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is NDSZERAGQHDVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2S/c1-14(2)5-6-15-10(12)13-9-11(15)3-7-18(16,17)8-4-11/h3-9H2,1-2H3,(H2,12,13).
What are the key properties of 1-[2-(dimethylamino)ethyl]-8,8-dioxo-8λ6-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine?
1-[2-(dimethylamino)ethyl]-8,8-dioxo-8λ6-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine has a molecular weight of 274.39 g/mol, XLogP of -0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-8,8-dioxo-8λ6-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 79496877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).