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

C8H13N3OS — CID 79961572

IUPAC4-amino-10-methyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one
SMILESCC1SCCCC12NC(=O)N=C2N
InChIInChI=1S/C8H13N3OS/c1-5-8(3-2-4-13-5)6(9)10-7(12)11-8/h5H,2-4H2,1H3,(H3,9,10,11,12)
InChIKeyBKGUTDBJRQUGMH-UHFFFAOYSA-N
MW199.28 g/mol
LogP0.72
Rot. Bonds

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

4-amino-10-methyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one (PubChem CID 79961572) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is 4-amino-10-methyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name4-amino-10-methyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one
PubChem CID79961572
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC Name4-amino-10-methyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one
SMILESCC1SCCCC12NC(=O)N=C2N
InChIInChI=1S/C8H13N3OS/c1-5-8(3-2-4-13-5)6(9)10-7(12)11-8/h5H,2-4H2,1H3,(H3,9,10,11,12)
InChIKeyBKGUTDBJRQUGMH-UHFFFAOYSA-N
XLogP0.72
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-Amino-8-thia-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 55250807
4-Amino-6,6-dimethyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79959849
4-Amino-8-methyl-7-thia-1,3-diazaspiro[4.4]non-3-en-2-one
CID 79960039
4-Amino-1-methyl-8-thia-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79960129
4-Amino-10-methyl-1-propyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79961042
4-Amino-1-methyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79961074
4-Amino-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79961183
4-Amino-1,10-dimethyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79961443
4-Amino-10-methyl-1-(2-methylpropyl)-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79961798
4-Amino-7,7-dimethyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79962097
4-Amino-10-methyl-1-propan-2-yl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79966937
4-Amino-1-ethyl-10-methyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79967088

Frequently Asked Questions

What is the IUPAC name of 4-amino-10-methyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 4-amino-10-methyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one (CID 79961572) is 4-amino-10-methyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 4-amino-10-methyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 4-amino-10-methyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one is CC1SCCCC12NC(=O)N=C2N.
What is the InChIKey of 4-amino-10-methyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one?
The InChIKey is BKGUTDBJRQUGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS/c1-5-8(3-2-4-13-5)6(9)10-7(12)11-8/h5H,2-4H2,1H3,(H3,9,10,11,12).
What are the key properties of 4-amino-10-methyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one?
4-amino-10-methyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one has a molecular weight of 199.28 g/mol, XLogP of 0.72, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-10-methyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 79961572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).