(2S,3S)-2-amino-3-methyl-1-thiomorpholin-4-ylpentan-1-one

C10H20N2OS — CID 28787379

IUPAC(2S,3S)-2-amino-3-methyl-1-thiomorpholin-4-ylpentan-1-one
SMILESCC[C@H](C)[C@H](N)C(=O)N1CCSCC1
InChIInChI=1S/C10H20N2OS/c1-3-8(2)9(11)10(13)12-4-6-14-7-5-12/h8-9H,3-7,11H2,1-2H3/t8-,9-/m0/s1
InChIKeyGXAMSSGCAIVQME-IUCAKERBSA-N
MW216.35 g/mol
LogP0.94
Rot. Bonds3

About (2S,3S)-2-amino-3-methyl-1-thiomorpholin-4-ylpentan-1-one

(2S,3S)-2-amino-3-methyl-1-thiomorpholin-4-ylpentan-1-one (PubChem CID 28787379) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is (2S,3S)-2-amino-3-methyl-1-thiomorpholin-4-ylpentan-1-one.

Molecular Properties

Compound Name(2S,3S)-2-amino-3-methyl-1-thiomorpholin-4-ylpentan-1-one
PubChem CID28787379
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Name(2S,3S)-2-amino-3-methyl-1-thiomorpholin-4-ylpentan-1-one
SMILESCC[C@H](C)[C@H](N)C(=O)N1CCSCC1
InChIInChI=1S/C10H20N2OS/c1-3-8(2)9(11)10(13)12-4-6-14-7-5-12/h8-9H,3-7,11H2,1-2H3/t8-,9-/m0/s1
InChIKeyGXAMSSGCAIVQME-IUCAKERBSA-N
XLogP0.94
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S,3S)-2-amino-3-methyl-1-thiomorpholin-4-ylpentan-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,3S)-2-amino-3-methyl-1-thiomorpholin-4-ylpentan-1-one?
The IUPAC name of (2S,3S)-2-amino-3-methyl-1-thiomorpholin-4-ylpentan-1-one (CID 28787379) is (2S,3S)-2-amino-3-methyl-1-thiomorpholin-4-ylpentan-1-one.
What is the SMILES notation for (2S,3S)-2-amino-3-methyl-1-thiomorpholin-4-ylpentan-1-one?
The canonical SMILES for (2S,3S)-2-amino-3-methyl-1-thiomorpholin-4-ylpentan-1-one is CC[C@H](C)[C@H](N)C(=O)N1CCSCC1.
What is the InChIKey of (2S,3S)-2-amino-3-methyl-1-thiomorpholin-4-ylpentan-1-one?
The InChIKey is GXAMSSGCAIVQME-IUCAKERBSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-3-8(2)9(11)10(13)12-4-6-14-7-5-12/h8-9H,3-7,11H2,1-2H3/t8-,9-/m0/s1.
What are the key properties of (2S,3S)-2-amino-3-methyl-1-thiomorpholin-4-ylpentan-1-one?
(2S,3S)-2-amino-3-methyl-1-thiomorpholin-4-ylpentan-1-one has a molecular weight of 216.35 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-3-methyl-1-thiomorpholin-4-ylpentan-1-one is sourced from PubChem (CID 28787379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).