(2R)-2-amino-3-methyl-1-thiomorpholin-4-ylbutan-1-one

C9H18N2OS — CID 28787387

IUPAC(2R)-2-amino-3-methyl-1-thiomorpholin-4-ylbutan-1-one
SMILESCC(C)[C@@H](N)C(=O)N1CCSCC1
InChIInChI=1S/C9H18N2OS/c1-7(2)8(10)9(12)11-3-5-13-6-4-11/h7-8H,3-6,10H2,1-2H3/t8-/m1/s1
InChIKeyKSFJEHGNTHQXSQ-MRVPVSSYSA-N
MW202.32 g/mol
LogP0.55
Rot. Bonds2

About (2R)-2-amino-3-methyl-1-thiomorpholin-4-ylbutan-1-one

(2R)-2-amino-3-methyl-1-thiomorpholin-4-ylbutan-1-one (PubChem CID 28787387) has the molecular formula C9H18N2OS and a molecular weight of 202.32 g/mol. Its IUPAC name is (2R)-2-amino-3-methyl-1-thiomorpholin-4-ylbutan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-3-methyl-1-thiomorpholin-4-ylbutan-1-one
PubChem CID28787387
Molecular FormulaC9H18N2OS
Molecular Weight202.32 g/mol
Exact Mass202.11
IUPAC Name(2R)-2-amino-3-methyl-1-thiomorpholin-4-ylbutan-1-one
SMILESCC(C)[C@@H](N)C(=O)N1CCSCC1
InChIInChI=1S/C9H18N2OS/c1-7(2)8(10)9(12)11-3-5-13-6-4-11/h7-8H,3-6,10H2,1-2H3/t8-/m1/s1
InChIKeyKSFJEHGNTHQXSQ-MRVPVSSYSA-N
XLogP0.55
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-methyl-1-thiomorpholin-4-ylbutan-1-one
CID 43210684
2-amino-1-thiomorpholin-4-ylpropan-1-one;hydrochloride
CID 50988106
4-[(2S)-2-amino-3-methylbutanoyl]piperazine-1-carboxylic acid
CID 141387551
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-morpholin-4-ylbutan-1-one
CID 22492154
(2R)-2-amino-1-[4-(dimethylamino)piperidin-1-yl]-3-methylbutan-1-one
CID 79011713
(2S)-2-amino-1-thiomorpholin-4-ylbutan-1-one
CID 79025535
2-amino-1-(4,4-dimethylpiperidin-1-yl)-3-methylbutan-1-one
CID 62930579
4-[(2S)-2-amino-3-methylbutanoyl]piperazine-1-sulfonamide
CID 61157442
(2S)-2-amino-1-(1,3-thiazolidin-3-yl)propan-1-one
CID 59007232
2-methyl-3-oxo-3-thiomorpholin-4-ylpropanal
CID 57119133

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-methyl-1-thiomorpholin-4-ylbutan-1-one?
The IUPAC name of (2R)-2-amino-3-methyl-1-thiomorpholin-4-ylbutan-1-one (CID 28787387) is (2R)-2-amino-3-methyl-1-thiomorpholin-4-ylbutan-1-one.
What is the SMILES notation for (2R)-2-amino-3-methyl-1-thiomorpholin-4-ylbutan-1-one?
The canonical SMILES for (2R)-2-amino-3-methyl-1-thiomorpholin-4-ylbutan-1-one is CC(C)[C@@H](N)C(=O)N1CCSCC1.
What is the InChIKey of (2R)-2-amino-3-methyl-1-thiomorpholin-4-ylbutan-1-one?
The InChIKey is KSFJEHGNTHQXSQ-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H18N2OS/c1-7(2)8(10)9(12)11-3-5-13-6-4-11/h7-8H,3-6,10H2,1-2H3/t8-/m1/s1.
What are the key properties of (2R)-2-amino-3-methyl-1-thiomorpholin-4-ylbutan-1-one?
(2R)-2-amino-3-methyl-1-thiomorpholin-4-ylbutan-1-one has a molecular weight of 202.32 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-methyl-1-thiomorpholin-4-ylbutan-1-one is sourced from PubChem (CID 28787387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).