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

C10H20N4S — CID 79498913

IUPAC1-[2-(dimethylamino)ethyl]-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine
SMILESCN(C)CCN1C(N)=NCC12CCSC2
InChIInChI=1S/C10H20N4S/c1-13(2)4-5-14-9(11)12-7-10(14)3-6-15-8-10/h3-8H2,1-2H3,(H2,11,12)
InChIKeyUDFDEXDZBAHUED-UHFFFAOYSA-N
MW228.36 g/mol
LogP0.05
Rot. Bonds3

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

1-[2-(dimethylamino)ethyl]-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine (PubChem CID 79498913) has the molecular formula C10H20N4S and a molecular weight of 228.36 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine
PubChem CID79498913
Molecular FormulaC10H20N4S
Molecular Weight228.36 g/mol
Exact Mass228.14
IUPAC Name1-[2-(dimethylamino)ethyl]-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine
SMILESCN(C)CCN1C(N)=NCC12CCSC2
InChIInChI=1S/C10H20N4S/c1-13(2)4-5-14-9(11)12-7-10(14)3-6-15-8-10/h3-8H2,1-2H3,(H2,11,12)
InChIKeyUDFDEXDZBAHUED-UHFFFAOYSA-N
XLogP0.05
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine (CID 79498913) is 1-[2-(dimethylamino)ethyl]-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine is CN(C)CCN1C(N)=NCC12CCSC2.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine?
The InChIKey is UDFDEXDZBAHUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4S/c1-13(2)4-5-14-9(11)12-7-10(14)3-6-15-8-10/h3-8H2,1-2H3,(H2,11,12).
What are the key properties of 1-[2-(dimethylamino)ethyl]-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine?
1-[2-(dimethylamino)ethyl]-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine has a molecular weight of 228.36 g/mol, XLogP of 0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine is sourced from PubChem (CID 79498913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).