4-amino-1,7,7-trimethyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one

C10H17N3OS — CID 79959711

IUPAC4-amino-1,7,7-trimethyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one
SMILESCN1C(=O)N=C(N)C12CSCC(C)(C)C2
InChIInChI=1S/C10H17N3OS/c1-9(2)4-10(6-15-5-9)7(11)12-8(14)13(10)3/h4-6H2,1-3H3,(H2,11,12,14)
InChIKeyDSKQEAJUYOTLAK-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.31
Rot. Bonds

About 4-amino-1,7,7-trimethyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one

4-amino-1,7,7-trimethyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one (PubChem CID 79959711) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 4-amino-1,7,7-trimethyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name4-amino-1,7,7-trimethyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one
PubChem CID79959711
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name4-amino-1,7,7-trimethyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one
SMILESCN1C(=O)N=C(N)C12CSCC(C)(C)C2
InChIInChI=1S/C10H17N3OS/c1-9(2)4-10(6-15-5-9)7(11)12-8(14)13(10)3/h4-6H2,1-3H3,(H2,11,12,14)
InChIKeyDSKQEAJUYOTLAK-UHFFFAOYSA-N
XLogP1.31
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1,7,7-trimethyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 4-amino-1,7,7-trimethyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one (CID 79959711) is 4-amino-1,7,7-trimethyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 4-amino-1,7,7-trimethyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 4-amino-1,7,7-trimethyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one is CN1C(=O)N=C(N)C12CSCC(C)(C)C2.
What is the InChIKey of 4-amino-1,7,7-trimethyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one?
The InChIKey is DSKQEAJUYOTLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-9(2)4-10(6-15-5-9)7(11)12-8(14)13(10)3/h4-6H2,1-3H3,(H2,11,12,14).
What are the key properties of 4-amino-1,7,7-trimethyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one?
4-amino-1,7,7-trimethyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one has a molecular weight of 227.33 g/mol, XLogP of 1.31, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1,7,7-trimethyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 79959711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).