(2S)-2-amino-4-methylsulfanyl-1-(5-oxa-8-azaspiro[3.5]nonan-8-yl)butan-1-one

C12H22N2O2S — CID 91660198

IUPAC(2S)-2-amino-4-methylsulfanyl-1-(5-oxa-8-azaspiro[3.5]nonan-8-yl)butan-1-one
SMILESCSCC[C@H](N)C(=O)N1CCOC2(CCC2)C1
InChIInChI=1S/C12H22N2O2S/c1-17-8-3-10(13)11(15)14-6-7-16-12(9-14)4-2-5-12/h10H,2-9,13H2,1H3/t10-/m0/s1
InChIKeyUAMAHFGIRRKGAH-JTQLQIEISA-N
MW258.39 g/mol
LogP0.85
Rot. Bonds4

About (2S)-2-amino-4-methylsulfanyl-1-(5-oxa-8-azaspiro[3.5]nonan-8-yl)butan-1-one

(2S)-2-amino-4-methylsulfanyl-1-(5-oxa-8-azaspiro[3.5]nonan-8-yl)butan-1-one (PubChem CID 91660198) has the molecular formula C12H22N2O2S and a molecular weight of 258.39 g/mol. Its IUPAC name is (2S)-2-amino-4-methylsulfanyl-1-(5-oxa-8-azaspiro[3.5]nonan-8-yl)butan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-4-methylsulfanyl-1-(5-oxa-8-azaspiro[3.5]nonan-8-yl)butan-1-one
PubChem CID91660198
Molecular FormulaC12H22N2O2S
Molecular Weight258.39 g/mol
Exact Mass258.14
IUPAC Name(2S)-2-amino-4-methylsulfanyl-1-(5-oxa-8-azaspiro[3.5]nonan-8-yl)butan-1-one
SMILESCSCC[C@H](N)C(=O)N1CCOC2(CCC2)C1
InChIInChI=1S/C12H22N2O2S/c1-17-8-3-10(13)11(15)14-6-7-16-12(9-14)4-2-5-12/h10H,2-9,13H2,1H3/t10-/m0/s1
InChIKeyUAMAHFGIRRKGAH-JTQLQIEISA-N
XLogP0.85
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-4-methylsulfanyl-1-(5-oxa-8-azaspiro[3.5]nonan-8-yl)butan-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 (2S)-2-amino-4-methylsulfanyl-1-(5-oxa-8-azaspiro[3.5]nonan-8-yl)butan-1-one?
The IUPAC name of (2S)-2-amino-4-methylsulfanyl-1-(5-oxa-8-azaspiro[3.5]nonan-8-yl)butan-1-one (CID 91660198) is (2S)-2-amino-4-methylsulfanyl-1-(5-oxa-8-azaspiro[3.5]nonan-8-yl)butan-1-one.
What is the SMILES notation for (2S)-2-amino-4-methylsulfanyl-1-(5-oxa-8-azaspiro[3.5]nonan-8-yl)butan-1-one?
The canonical SMILES for (2S)-2-amino-4-methylsulfanyl-1-(5-oxa-8-azaspiro[3.5]nonan-8-yl)butan-1-one is CSCC[C@H](N)C(=O)N1CCOC2(CCC2)C1.
What is the InChIKey of (2S)-2-amino-4-methylsulfanyl-1-(5-oxa-8-azaspiro[3.5]nonan-8-yl)butan-1-one?
The InChIKey is UAMAHFGIRRKGAH-JTQLQIEISA-N. The full InChI is InChI=1S/C12H22N2O2S/c1-17-8-3-10(13)11(15)14-6-7-16-12(9-14)4-2-5-12/h10H,2-9,13H2,1H3/t10-/m0/s1.
What are the key properties of (2S)-2-amino-4-methylsulfanyl-1-(5-oxa-8-azaspiro[3.5]nonan-8-yl)butan-1-one?
(2S)-2-amino-4-methylsulfanyl-1-(5-oxa-8-azaspiro[3.5]nonan-8-yl)butan-1-one has a molecular weight of 258.39 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methylsulfanyl-1-(5-oxa-8-azaspiro[3.5]nonan-8-yl)butan-1-one is sourced from PubChem (CID 91660198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).