1,10-dimethyl-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine

C9H17N3S — CID 79951497

IUPAC1,10-dimethyl-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCC1SCCCC12CN=C(N)N2C
InChIInChI=1S/C9H17N3S/c1-7-9(4-3-5-13-7)6-11-8(10)12(9)2/h7H,3-6H2,1-2H3,(H2,10,11)
InChIKeyAACBBXRWGPUOMT-UHFFFAOYSA-N
MW199.32 g/mol
LogP0.90
Rot. Bonds

About 1,10-dimethyl-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine

1,10-dimethyl-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine (PubChem CID 79951497) has the molecular formula C9H17N3S and a molecular weight of 199.32 g/mol. Its IUPAC name is 1,10-dimethyl-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name1,10-dimethyl-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
PubChem CID79951497
Molecular FormulaC9H17N3S
Molecular Weight199.32 g/mol
Exact Mass199.11
IUPAC Name1,10-dimethyl-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCC1SCCCC12CN=C(N)N2C
InChIInChI=1S/C9H17N3S/c1-7-9(4-3-5-13-7)6-11-8(10)12(9)2/h7H,3-6H2,1-2H3,(H2,10,11)
InChIKeyAACBBXRWGPUOMT-UHFFFAOYSA-N
XLogP0.90
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,10-dimethyl-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 1,10-dimethyl-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine (CID 79951497) is 1,10-dimethyl-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 1,10-dimethyl-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 1,10-dimethyl-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine is CC1SCCCC12CN=C(N)N2C.
What is the InChIKey of 1,10-dimethyl-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is AACBBXRWGPUOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3S/c1-7-9(4-3-5-13-7)6-11-8(10)12(9)2/h7H,3-6H2,1-2H3,(H2,10,11).
What are the key properties of 1,10-dimethyl-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine?
1,10-dimethyl-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine has a molecular weight of 199.32 g/mol, XLogP of 0.90, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,10-dimethyl-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 79951497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).