1-[2-(dimethylamino)ethyl]-7,7-dioxo-7λ6-thia-1,3-diazaspiro[4.4]non-2-en-2-amine

C10H20N4O2S — CID 79497824

IUPAC1-[2-(dimethylamino)ethyl]-7,7-dioxo-7λ6-thia-1,3-diazaspiro[4.4]non-2-en-2-amine
SMILESCN(C)CCN1C(N)=NCC12CCS(=O)(=O)C2
InChIInChI=1S/C10H20N4O2S/c1-13(2)4-5-14-9(11)12-7-10(14)3-6-17(15,16)8-10/h3-8H2,1-2H3,(H2,11,12)
InChIKeyGWWPPEYLJPWEIX-UHFFFAOYSA-N
MW260.36 g/mol
LogP-1.26
Rot. Bonds3

About 1-[2-(dimethylamino)ethyl]-7,7-dioxo-7λ6-thia-1,3-diazaspiro[4.4]non-2-en-2-amine

1-[2-(dimethylamino)ethyl]-7,7-dioxo-7λ6-thia-1,3-diazaspiro[4.4]non-2-en-2-amine (PubChem CID 79497824) has the molecular formula C10H20N4O2S and a molecular weight of 260.36 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-7,7-dioxo-7λ6-thia-1,3-diazaspiro[4.4]non-2-en-2-amine.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-7,7-dioxo-7λ6-thia-1,3-diazaspiro[4.4]non-2-en-2-amine
PubChem CID79497824
Molecular FormulaC10H20N4O2S
Molecular Weight260.36 g/mol
Exact Mass260.13
IUPAC Name1-[2-(dimethylamino)ethyl]-7,7-dioxo-7λ6-thia-1,3-diazaspiro[4.4]non-2-en-2-amine
SMILESCN(C)CCN1C(N)=NCC12CCS(=O)(=O)C2
InChIInChI=1S/C10H20N4O2S/c1-13(2)4-5-14-9(11)12-7-10(14)3-6-17(15,16)8-10/h3-8H2,1-2H3,(H2,11,12)
InChIKeyGWWPPEYLJPWEIX-UHFFFAOYSA-N
XLogP-1.26
TPSA79.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 5-1.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-(dimethylamino)ethyl]-7,7-dioxo-7λ6-thia-1,3-diazaspiro[4.4]non-2-en-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-7,7-dioxo-7λ6-thia-1,3-diazaspiro[4.4]non-2-en-2-amine?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-7,7-dioxo-7λ6-thia-1,3-diazaspiro[4.4]non-2-en-2-amine (CID 79497824) is 1-[2-(dimethylamino)ethyl]-7,7-dioxo-7λ6-thia-1,3-diazaspiro[4.4]non-2-en-2-amine.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-7,7-dioxo-7λ6-thia-1,3-diazaspiro[4.4]non-2-en-2-amine?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-7,7-dioxo-7λ6-thia-1,3-diazaspiro[4.4]non-2-en-2-amine is CN(C)CCN1C(N)=NCC12CCS(=O)(=O)C2.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-7,7-dioxo-7λ6-thia-1,3-diazaspiro[4.4]non-2-en-2-amine?
The InChIKey is GWWPPEYLJPWEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2S/c1-13(2)4-5-14-9(11)12-7-10(14)3-6-17(15,16)8-10/h3-8H2,1-2H3,(H2,11,12).
What are the key properties of 1-[2-(dimethylamino)ethyl]-7,7-dioxo-7λ6-thia-1,3-diazaspiro[4.4]non-2-en-2-amine?
1-[2-(dimethylamino)ethyl]-7,7-dioxo-7λ6-thia-1,3-diazaspiro[4.4]non-2-en-2-amine has a molecular weight of 260.36 g/mol, XLogP of -1.26, 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]-7,7-dioxo-7λ6-thia-1,3-diazaspiro[4.4]non-2-en-2-amine is sourced from PubChem (CID 79497824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).