1-[2-(dimethylamino)ethyl]-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine

C11H22N4S — CID 79497827

IUPAC1-[2-(dimethylamino)ethyl]-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCN(C)CCN1C(N)=NCC12CCCSC2
InChIInChI=1S/C11H22N4S/c1-14(2)5-6-15-10(12)13-8-11(15)4-3-7-16-9-11/h3-9H2,1-2H3,(H2,12,13)
InChIKeyRYGOVZMJTGDQCS-UHFFFAOYSA-N
MW242.39 g/mol
LogP0.44
Rot. Bonds3

About 1-[2-(dimethylamino)ethyl]-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine

1-[2-(dimethylamino)ethyl]-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine (PubChem CID 79497827) has the molecular formula C11H22N4S and a molecular weight of 242.39 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
PubChem CID79497827
Molecular FormulaC11H22N4S
Molecular Weight242.39 g/mol
Exact Mass242.16
IUPAC Name1-[2-(dimethylamino)ethyl]-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCN(C)CCN1C(N)=NCC12CCCSC2
InChIInChI=1S/C11H22N4S/c1-14(2)5-6-15-10(12)13-8-11(15)4-3-7-16-9-11/h3-9H2,1-2H3,(H2,12,13)
InChIKeyRYGOVZMJTGDQCS-UHFFFAOYSA-N
XLogP0.44
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 50.44
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]-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine (CID 79497827) is 1-[2-(dimethylamino)ethyl]-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine is CN(C)CCN1C(N)=NCC12CCCSC2.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is RYGOVZMJTGDQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4S/c1-14(2)5-6-15-10(12)13-8-11(15)4-3-7-16-9-11/h3-9H2,1-2H3,(H2,12,13).
What are the key properties of 1-[2-(dimethylamino)ethyl]-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine?
1-[2-(dimethylamino)ethyl]-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine has a molecular weight of 242.39 g/mol, XLogP of 0.44, 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]-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 79497827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).