4-amino-6,6-dimethyl-1-(2-methylpropyl)-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one

C13H23N3OS — CID 79960511

IUPAC4-amino-6,6-dimethyl-1-(2-methylpropyl)-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one
SMILESCC(C)CN1C(=O)N=C(N)C12CSCCC2(C)C
InChIInChI=1S/C13H23N3OS/c1-9(2)7-16-11(17)15-10(14)13(16)8-18-6-5-12(13,3)4/h9H,5-8H2,1-4H3,(H2,14,15,17)
InChIKeyRHHANLPZHKTPAC-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.34
Rot. Bonds2

About 4-amino-6,6-dimethyl-1-(2-methylpropyl)-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one

4-amino-6,6-dimethyl-1-(2-methylpropyl)-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one (PubChem CID 79960511) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is 4-amino-6,6-dimethyl-1-(2-methylpropyl)-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name4-amino-6,6-dimethyl-1-(2-methylpropyl)-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one
PubChem CID79960511
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name4-amino-6,6-dimethyl-1-(2-methylpropyl)-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one
SMILESCC(C)CN1C(=O)N=C(N)C12CSCCC2(C)C
InChIInChI=1S/C13H23N3OS/c1-9(2)7-16-11(17)15-10(14)13(16)8-18-6-5-12(13,3)4/h9H,5-8H2,1-4H3,(H2,14,15,17)
InChIKeyRHHANLPZHKTPAC-UHFFFAOYSA-N
XLogP2.34
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-amino-6,6-dimethyl-1-(2-methylpropyl)-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one with MolForge

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

Launch Full Analysis

Related Compounds

4-amino-1-(cyclopropylmethyl)-6,6-dimethyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79985561
4-amino-8,8-dimethyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79959479
4-amino-1-(2-methylpropyl)-8-propan-2-yl-1,3,8-triazaspiro[4.5]dec-3-en-2-one
CID 79959475
8-amino-5-(2-methylpropyl)-2-propan-2-yl-5,7-diazaspiro[3.4]oct-7-en-6-one
CID 103565729
4-amino-8-methyl-1-(2-methylpropyl)-1,3-diazaspiro[4.6]undec-3-en-2-one
CID 79961054
4-amino-1-(2-methylpropyl)-7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79959490
4-amino-1-but-3-yn-2-yl-6,6-dimethyl-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 114420729
4-amino-5-[(2-fluorophenyl)methyl]-5-methyl-1-(2-methylpropyl)imidazol-2-one
CID 114835186
4-amino-1-benzyl-9,9-dimethyl-1,3-diazaspiro[4.4]non-3-en-2-one
CID 79967773
4-amino-1-but-3-yn-2-yl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 114420743
4-amino-5-ethyl-1-(2-methoxyethyl)-5-methylimidazol-2-one
CID 79967094
4-amino-5,5-dimethyl-1-propylimidazol-2-one
CID 79959875

Frequently Asked Questions

What is the IUPAC name of 4-amino-6,6-dimethyl-1-(2-methylpropyl)-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 4-amino-6,6-dimethyl-1-(2-methylpropyl)-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one (CID 79960511) is 4-amino-6,6-dimethyl-1-(2-methylpropyl)-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 4-amino-6,6-dimethyl-1-(2-methylpropyl)-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 4-amino-6,6-dimethyl-1-(2-methylpropyl)-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one is CC(C)CN1C(=O)N=C(N)C12CSCCC2(C)C.
What is the InChIKey of 4-amino-6,6-dimethyl-1-(2-methylpropyl)-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one?
The InChIKey is RHHANLPZHKTPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-9(2)7-16-11(17)15-10(14)13(16)8-18-6-5-12(13,3)4/h9H,5-8H2,1-4H3,(H2,14,15,17).
What are the key properties of 4-amino-6,6-dimethyl-1-(2-methylpropyl)-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one?
4-amino-6,6-dimethyl-1-(2-methylpropyl)-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one has a molecular weight of 269.41 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6,6-dimethyl-1-(2-methylpropyl)-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 79960511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).