(5S)-9-sulfanyl-2,9-diazaspiro[4.5]decan-1-one

C8H14N2OS — CID 166682645

IUPAC(5S)-9-sulfanyl-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C1NCC[C@]12CCCN(S)C2
InChIInChI=1S/C8H14N2OS/c11-7-8(3-4-9-7)2-1-5-10(12)6-8/h12H,1-6H2,(H,9,11)/t8-/m0/s1
InChIKeyRUTYCRFMDJBNMN-QMMMGPOBSA-N
MW186.28 g/mol
LogP0.43
Rot. Bonds

About (5S)-9-sulfanyl-2,9-diazaspiro[4.5]decan-1-one

(5S)-9-sulfanyl-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 166682645) has the molecular formula C8H14N2OS and a molecular weight of 186.28 g/mol. Its IUPAC name is (5S)-9-sulfanyl-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name(5S)-9-sulfanyl-2,9-diazaspiro[4.5]decan-1-one
PubChem CID166682645
Molecular FormulaC8H14N2OS
Molecular Weight186.28 g/mol
Exact Mass186.08
IUPAC Name(5S)-9-sulfanyl-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C1NCC[C@]12CCCN(S)C2
InChIInChI=1S/C8H14N2OS/c11-7-8(3-4-9-7)2-1-5-10(12)6-8/h12H,1-6H2,(H,9,11)/t8-/m0/s1
InChIKeyRUTYCRFMDJBNMN-QMMMGPOBSA-N
XLogP0.43
TPSA32.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze (5S)-9-sulfanyl-2,9-diazaspiro[4.5]decan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5S)-9-sulfanyl-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of (5S)-9-sulfanyl-2,9-diazaspiro[4.5]decan-1-one (CID 166682645) is (5S)-9-sulfanyl-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for (5S)-9-sulfanyl-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for (5S)-9-sulfanyl-2,9-diazaspiro[4.5]decan-1-one is O=C1NCC[C@]12CCCN(S)C2.
What is the InChIKey of (5S)-9-sulfanyl-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is RUTYCRFMDJBNMN-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H14N2OS/c11-7-8(3-4-9-7)2-1-5-10(12)6-8/h12H,1-6H2,(H,9,11)/t8-/m0/s1.
What are the key properties of (5S)-9-sulfanyl-2,9-diazaspiro[4.5]decan-1-one?
(5S)-9-sulfanyl-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 186.28 g/mol, XLogP of 0.43, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-9-sulfanyl-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 166682645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).