4-imino-10-methyl-1-propan-2-yl-9-thia-1,3-diazaspiro[4.5]decan-2-one

C11H19N3OS — CID 138389733

IUPAC4-imino-10-methyl-1-propan-2-yl-9-thia-1,3-diazaspiro[4.5]decan-2-one
SMILES[H]/N=C1\NC(=O)N(C(C)C)C12CCCSC2C
InChIInChI=1S/C11H19N3OS/c1-7(2)14-10(15)13-9(12)11(14)5-4-6-16-8(11)3/h7-8H,4-6H2,1-3H3,(H2,12,13,15)
InChIKeyPFOFCTAZJCREQC-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.05
Rot. Bonds1

About 4-imino-10-methyl-1-propan-2-yl-9-thia-1,3-diazaspiro[4.5]decan-2-one

4-imino-10-methyl-1-propan-2-yl-9-thia-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 138389733) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 4-imino-10-methyl-1-propan-2-yl-9-thia-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name4-imino-10-methyl-1-propan-2-yl-9-thia-1,3-diazaspiro[4.5]decan-2-one
PubChem CID138389733
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name4-imino-10-methyl-1-propan-2-yl-9-thia-1,3-diazaspiro[4.5]decan-2-one
SMILES[H]/N=C1\NC(=O)N(C(C)C)C12CCCSC2C
InChIInChI=1S/C11H19N3OS/c1-7(2)14-10(15)13-9(12)11(14)5-4-6-16-8(11)3/h7-8H,4-6H2,1-3H3,(H2,12,13,15)
InChIKeyPFOFCTAZJCREQC-UHFFFAOYSA-N
XLogP2.05
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.05
H-Bond Donors ≤ 52
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-10-methyl-1-propan-2-yl-9-thia-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 4-imino-10-methyl-1-propan-2-yl-9-thia-1,3-diazaspiro[4.5]decan-2-one (CID 138389733) is 4-imino-10-methyl-1-propan-2-yl-9-thia-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 4-imino-10-methyl-1-propan-2-yl-9-thia-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 4-imino-10-methyl-1-propan-2-yl-9-thia-1,3-diazaspiro[4.5]decan-2-one is [H]/N=C1\NC(=O)N(C(C)C)C12CCCSC2C.
What is the InChIKey of 4-imino-10-methyl-1-propan-2-yl-9-thia-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is PFOFCTAZJCREQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-7(2)14-10(15)13-9(12)11(14)5-4-6-16-8(11)3/h7-8H,4-6H2,1-3H3,(H2,12,13,15).
What are the key properties of 4-imino-10-methyl-1-propan-2-yl-9-thia-1,3-diazaspiro[4.5]decan-2-one?
4-imino-10-methyl-1-propan-2-yl-9-thia-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 241.36 g/mol, XLogP of 2.05, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-10-methyl-1-propan-2-yl-9-thia-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 138389733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).