4-imino-6,6-dimethyl-9-thia-1,3-diazaspiro[4.5]decan-2-one

C9H15N3OS — CID 138388468

IUPAC4-imino-6,6-dimethyl-9-thia-1,3-diazaspiro[4.5]decan-2-one
SMILES[H]/N=C1\NC(=O)NC12CSCCC2(C)C
InChIInChI=1S/C9H15N3OS/c1-8(2)3-4-14-5-9(8)6(10)11-7(13)12-9/h3-5H2,1-2H3,(H3,10,11,12,13)
InChIKeyZFFCCVNEURVYGE-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.18
Rot. Bonds

About 4-imino-6,6-dimethyl-9-thia-1,3-diazaspiro[4.5]decan-2-one

4-imino-6,6-dimethyl-9-thia-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 138388468) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 4-imino-6,6-dimethyl-9-thia-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name4-imino-6,6-dimethyl-9-thia-1,3-diazaspiro[4.5]decan-2-one
PubChem CID138388468
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name4-imino-6,6-dimethyl-9-thia-1,3-diazaspiro[4.5]decan-2-one
SMILES[H]/N=C1\NC(=O)NC12CSCCC2(C)C
InChIInChI=1S/C9H15N3OS/c1-8(2)3-4-14-5-9(8)6(10)11-7(13)12-9/h3-5H2,1-2H3,(H3,10,11,12,13)
InChIKeyZFFCCVNEURVYGE-UHFFFAOYSA-N
XLogP1.18
TPSA64.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-imino-6,6-dimethyl-9-thia-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 4-imino-6,6-dimethyl-9-thia-1,3-diazaspiro[4.5]decan-2-one (CID 138388468) is 4-imino-6,6-dimethyl-9-thia-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 4-imino-6,6-dimethyl-9-thia-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 4-imino-6,6-dimethyl-9-thia-1,3-diazaspiro[4.5]decan-2-one is [H]/N=C1\NC(=O)NC12CSCCC2(C)C.
What is the InChIKey of 4-imino-6,6-dimethyl-9-thia-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is ZFFCCVNEURVYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-8(2)3-4-14-5-9(8)6(10)11-7(13)12-9/h3-5H2,1-2H3,(H3,10,11,12,13).
What are the key properties of 4-imino-6,6-dimethyl-9-thia-1,3-diazaspiro[4.5]decan-2-one?
4-imino-6,6-dimethyl-9-thia-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 213.31 g/mol, XLogP of 1.18, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-6,6-dimethyl-9-thia-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 138388468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).