4-amino-10-methyl-1-(2-methylpropyl)-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one

C12H21N3OS — CID 79961798

IUPAC4-amino-10-methyl-1-(2-methylpropyl)-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one
SMILESCC(C)CN1C(=O)N=C(N)C12CCCSC2C
InChIInChI=1S/C12H21N3OS/c1-8(2)7-15-11(16)14-10(13)12(15)5-4-6-17-9(12)3/h8-9H,4-7H2,1-3H3,(H2,13,14,16)
InChIKeyQWVUENRCNIOXTK-UHFFFAOYSA-N
MW255.39 g/mol
LogP2.09
Rot. Bonds2

About 4-amino-10-methyl-1-(2-methylpropyl)-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one

4-amino-10-methyl-1-(2-methylpropyl)-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one (PubChem CID 79961798) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 4-amino-10-methyl-1-(2-methylpropyl)-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name4-amino-10-methyl-1-(2-methylpropyl)-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one
PubChem CID79961798
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name4-amino-10-methyl-1-(2-methylpropyl)-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one
SMILESCC(C)CN1C(=O)N=C(N)C12CCCSC2C
InChIInChI=1S/C12H21N3OS/c1-8(2)7-15-11(16)14-10(13)12(15)5-4-6-17-9(12)3/h8-9H,4-7H2,1-3H3,(H2,13,14,16)
InChIKeyQWVUENRCNIOXTK-UHFFFAOYSA-N
XLogP2.09
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-10-methyl-1-(2-methylpropyl)-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 4-amino-10-methyl-1-(2-methylpropyl)-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one (CID 79961798) is 4-amino-10-methyl-1-(2-methylpropyl)-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 4-amino-10-methyl-1-(2-methylpropyl)-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 4-amino-10-methyl-1-(2-methylpropyl)-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one is CC(C)CN1C(=O)N=C(N)C12CCCSC2C.
What is the InChIKey of 4-amino-10-methyl-1-(2-methylpropyl)-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one?
The InChIKey is QWVUENRCNIOXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-8(2)7-15-11(16)14-10(13)12(15)5-4-6-17-9(12)3/h8-9H,4-7H2,1-3H3,(H2,13,14,16).
What are the key properties of 4-amino-10-methyl-1-(2-methylpropyl)-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one?
4-amino-10-methyl-1-(2-methylpropyl)-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one has a molecular weight of 255.39 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-10-methyl-1-(2-methylpropyl)-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 79961798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).