(2S)-2-amino-1-thiomorpholin-4-ylbutan-1-one

C8H16N2OS — CID 79025535

IUPAC(2S)-2-amino-1-thiomorpholin-4-ylbutan-1-one
SMILESCC[C@H](N)C(=O)N1CCSCC1
InChIInChI=1S/C8H16N2OS/c1-2-7(9)8(11)10-3-5-12-6-4-10/h7H,2-6,9H2,1H3/t7-/m0/s1
InChIKeyBDZCSJPYAQBMHE-ZETCQYMHSA-N
MW188.30 g/mol
LogP0.30
Rot. Bonds2

About (2S)-2-amino-1-thiomorpholin-4-ylbutan-1-one

(2S)-2-amino-1-thiomorpholin-4-ylbutan-1-one (PubChem CID 79025535) has the molecular formula C8H16N2OS and a molecular weight of 188.30 g/mol. Its IUPAC name is (2S)-2-amino-1-thiomorpholin-4-ylbutan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-thiomorpholin-4-ylbutan-1-one
PubChem CID79025535
Molecular FormulaC8H16N2OS
Molecular Weight188.30 g/mol
Exact Mass188.10
IUPAC Name(2S)-2-amino-1-thiomorpholin-4-ylbutan-1-one
SMILESCC[C@H](N)C(=O)N1CCSCC1
InChIInChI=1S/C8H16N2OS/c1-2-7(9)8(11)10-3-5-12-6-4-10/h7H,2-6,9H2,1H3/t7-/m0/s1
InChIKeyBDZCSJPYAQBMHE-ZETCQYMHSA-N
XLogP0.30
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.30
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-acetylpiperazin-1-yl)-2-aminobutan-1-one
CID 60893476
2-amino-4-methylsulfonyl-1-thiomorpholin-4-ylbutan-1-one
CID 43210676
4-amino-5-oxo-5-thiomorpholin-4-ylpentanoic acid
CID 64895022
2-amino-1-thiomorpholin-4-ylpropan-1-one;hydrochloride
CID 50988106
(2S)-2-amino-1-(4-methylpiperidin-1-yl)butan-1-one
CID 79025031
(2S)-2-amino-1-(1,3-thiazolidin-3-yl)pentan-1-one
CID 70304364
2-amino-3-methoxy-1-(1,4-thiazepan-4-yl)propan-1-one;hydrochloride
CID 120986257
2-amino-3-methyl-1-(1,4-thiazepan-4-yl)pentan-1-one
CID 61419316
(2S)-2-amino-3-methyl-1-(1,4-thiazepan-4-yl)pentan-1-one
CID 61419045
2-amino-3-methyl-1-thiomorpholin-4-ylbutan-1-one
CID 43210684
(2R)-2-amino-3-methyl-1-thiomorpholin-4-ylbutan-1-one
CID 28787387
3-amino-4-oxo-4-(1,4-thiazepan-4-yl)butanoic acid
CID 64896344

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-thiomorpholin-4-ylbutan-1-one?
The IUPAC name of (2S)-2-amino-1-thiomorpholin-4-ylbutan-1-one (CID 79025535) is (2S)-2-amino-1-thiomorpholin-4-ylbutan-1-one.
What is the SMILES notation for (2S)-2-amino-1-thiomorpholin-4-ylbutan-1-one?
The canonical SMILES for (2S)-2-amino-1-thiomorpholin-4-ylbutan-1-one is CC[C@H](N)C(=O)N1CCSCC1.
What is the InChIKey of (2S)-2-amino-1-thiomorpholin-4-ylbutan-1-one?
The InChIKey is BDZCSJPYAQBMHE-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H16N2OS/c1-2-7(9)8(11)10-3-5-12-6-4-10/h7H,2-6,9H2,1H3/t7-/m0/s1.
What are the key properties of (2S)-2-amino-1-thiomorpholin-4-ylbutan-1-one?
(2S)-2-amino-1-thiomorpholin-4-ylbutan-1-one has a molecular weight of 188.30 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-thiomorpholin-4-ylbutan-1-one is sourced from PubChem (CID 79025535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).