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

C10H21ClN2OS — CID 66548465

IUPAC(2S)-2-amino-3-methyl-1-thiomorpholin-4-ylpentan-1-one;hydrochloride
SMILESCCC(C)[C@H](N)C(=O)N1CCSCC1.Cl
InChIInChI=1S/C10H20N2OS.ClH/c1-3-8(2)9(11)10(13)12-4-6-14-7-5-12;/h8-9H,3-7,11H2,1-2H3;1H/t8?,9-;/m0./s1
InChIKeyNHKIJPGVVGASRS-MTFPJWTKSA-N
MW252.81 g/mol
LogP1.36
Rot. Bonds3

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

(2S)-2-amino-3-methyl-1-thiomorpholin-4-ylpentan-1-one;hydrochloride (PubChem CID 66548465) has the molecular formula C10H21ClN2OS and a molecular weight of 252.81 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-1-thiomorpholin-4-ylpentan-1-one;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-1-thiomorpholin-4-ylpentan-1-one;hydrochloride
PubChem CID66548465
Molecular FormulaC10H21ClN2OS
Molecular Weight252.81 g/mol
Exact Mass252.11
IUPAC Name(2S)-2-amino-3-methyl-1-thiomorpholin-4-ylpentan-1-one;hydrochloride
SMILESCCC(C)[C@H](N)C(=O)N1CCSCC1.Cl
InChIInChI=1S/C10H20N2OS.ClH/c1-3-8(2)9(11)10(13)12-4-6-14-7-5-12;/h8-9H,3-7,11H2,1-2H3;1H/t8?,9-;/m0./s1
InChIKeyNHKIJPGVVGASRS-MTFPJWTKSA-N
XLogP1.36
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.81
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-1-thiomorpholin-4-ylpentan-1-one;hydrochloride?
The IUPAC name of (2S)-2-amino-3-methyl-1-thiomorpholin-4-ylpentan-1-one;hydrochloride (CID 66548465) is (2S)-2-amino-3-methyl-1-thiomorpholin-4-ylpentan-1-one;hydrochloride.
What is the SMILES notation for (2S)-2-amino-3-methyl-1-thiomorpholin-4-ylpentan-1-one;hydrochloride?
The canonical SMILES for (2S)-2-amino-3-methyl-1-thiomorpholin-4-ylpentan-1-one;hydrochloride is CCC(C)[C@H](N)C(=O)N1CCSCC1.Cl.
What is the InChIKey of (2S)-2-amino-3-methyl-1-thiomorpholin-4-ylpentan-1-one;hydrochloride?
The InChIKey is NHKIJPGVVGASRS-MTFPJWTKSA-N. The full InChI is InChI=1S/C10H20N2OS.ClH/c1-3-8(2)9(11)10(13)12-4-6-14-7-5-12;/h8-9H,3-7,11H2,1-2H3;1H/t8?,9-;/m0./s1.
What are the key properties of (2S)-2-amino-3-methyl-1-thiomorpholin-4-ylpentan-1-one;hydrochloride?
(2S)-2-amino-3-methyl-1-thiomorpholin-4-ylpentan-1-one;hydrochloride has a molecular weight of 252.81 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-1-thiomorpholin-4-ylpentan-1-one;hydrochloride is sourced from PubChem (CID 66548465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).