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

C10H20N2OS — CID 28787393

IUPAC(2S)-2-amino-4-methyl-1-thiomorpholin-4-ylpentan-1-one
SMILESCC(C)C[C@H](N)C(=O)N1CCSCC1
InChIInChI=1S/C10H20N2OS/c1-8(2)7-9(11)10(13)12-3-5-14-6-4-12/h8-9H,3-7,11H2,1-2H3/t9-/m0/s1
InChIKeyJKEVUGSURXABEA-VIFPVBQESA-N
MW216.35 g/mol
LogP0.94
Rot. Bonds3

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

(2S)-2-amino-4-methyl-1-thiomorpholin-4-ylpentan-1-one (PubChem CID 28787393) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-1-thiomorpholin-4-ylpentan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-1-thiomorpholin-4-ylpentan-1-one
PubChem CID28787393
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Name(2S)-2-amino-4-methyl-1-thiomorpholin-4-ylpentan-1-one
SMILESCC(C)C[C@H](N)C(=O)N1CCSCC1
InChIInChI=1S/C10H20N2OS/c1-8(2)7-9(11)10(13)12-3-5-14-6-4-12/h8-9H,3-7,11H2,1-2H3/t9-/m0/s1
InChIKeyJKEVUGSURXABEA-VIFPVBQESA-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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-1-thiomorpholin-4-ylpentan-1-one?
The IUPAC name of (2S)-2-amino-4-methyl-1-thiomorpholin-4-ylpentan-1-one (CID 28787393) is (2S)-2-amino-4-methyl-1-thiomorpholin-4-ylpentan-1-one.
What is the SMILES notation for (2S)-2-amino-4-methyl-1-thiomorpholin-4-ylpentan-1-one?
The canonical SMILES for (2S)-2-amino-4-methyl-1-thiomorpholin-4-ylpentan-1-one is CC(C)C[C@H](N)C(=O)N1CCSCC1.
What is the InChIKey of (2S)-2-amino-4-methyl-1-thiomorpholin-4-ylpentan-1-one?
The InChIKey is JKEVUGSURXABEA-VIFPVBQESA-N. The full InChI is InChI=1S/C10H20N2OS/c1-8(2)7-9(11)10(13)12-3-5-14-6-4-12/h8-9H,3-7,11H2,1-2H3/t9-/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-1-thiomorpholin-4-ylpentan-1-one?
(2S)-2-amino-4-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)-2-amino-4-methyl-1-thiomorpholin-4-ylpentan-1-one is sourced from PubChem (CID 28787393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).