N-[(2R)-3-methyl-1-oxo-1-thiomorpholin-4-ylbutan-2-yl]acetamide

C11H20N2O2S — CID 94205531

IUPACN-[(2R)-3-methyl-1-oxo-1-thiomorpholin-4-ylbutan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C(=O)N1CCSCC1)C(C)C
InChIInChI=1S/C11H20N2O2S/c1-8(2)10(12-9(3)14)11(15)13-4-6-16-7-5-13/h8,10H,4-7H2,1-3H3,(H,12,14)/t10-/m1/s1
InChIKeyFWFIDCHYTWIZMT-SNVBAGLBSA-N
MW244.36 g/mol
LogP0.72
Rot. Bonds3

About N-[(2R)-3-methyl-1-oxo-1-thiomorpholin-4-ylbutan-2-yl]acetamide

N-[(2R)-3-methyl-1-oxo-1-thiomorpholin-4-ylbutan-2-yl]acetamide (PubChem CID 94205531) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is N-[(2R)-3-methyl-1-oxo-1-thiomorpholin-4-ylbutan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2R)-3-methyl-1-oxo-1-thiomorpholin-4-ylbutan-2-yl]acetamide
PubChem CID94205531
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC NameN-[(2R)-3-methyl-1-oxo-1-thiomorpholin-4-ylbutan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C(=O)N1CCSCC1)C(C)C
InChIInChI=1S/C11H20N2O2S/c1-8(2)10(12-9(3)14)11(15)13-4-6-16-7-5-13/h8,10H,4-7H2,1-3H3,(H,12,14)/t10-/m1/s1
InChIKeyFWFIDCHYTWIZMT-SNVBAGLBSA-N
XLogP0.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-acetamido-3-methylbutanoyl)piperazin-1-yl]-N-methylacetamide
CID 78803750
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
N-[3-methyl-1-oxo-1-(3-oxopiperazin-1-yl)butan-2-yl]acetamide
CID 60636396
2-amino-1-thiomorpholin-4-ylpropan-1-one;hydrochloride
CID 50988106
N-[(2S)-1-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]acetamide
CID 9100133
N-[(2R)-1-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]acetamide
CID 9100137
N-[1-(3-cyano-3-fluoropyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl]acetamide
CID 123834584
2-methyl-3-oxo-3-thiomorpholin-4-ylpropanal
CID 57119133
N-[3-methyl-1-[4-(3-methylphenyl)piperazin-1-yl]-1-oxobutan-2-yl]acetamide
CID 43034873
2-methyl-3-(methylamino)-1-thiomorpholin-4-ylpropan-1-one
CID 79196742
methyl N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamate
CID 58449518

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-methyl-1-oxo-1-thiomorpholin-4-ylbutan-2-yl]acetamide?
The IUPAC name of N-[(2R)-3-methyl-1-oxo-1-thiomorpholin-4-ylbutan-2-yl]acetamide (CID 94205531) is N-[(2R)-3-methyl-1-oxo-1-thiomorpholin-4-ylbutan-2-yl]acetamide.
What is the SMILES notation for N-[(2R)-3-methyl-1-oxo-1-thiomorpholin-4-ylbutan-2-yl]acetamide?
The canonical SMILES for N-[(2R)-3-methyl-1-oxo-1-thiomorpholin-4-ylbutan-2-yl]acetamide is CC(=O)N[C@@H](C(=O)N1CCSCC1)C(C)C.
What is the InChIKey of N-[(2R)-3-methyl-1-oxo-1-thiomorpholin-4-ylbutan-2-yl]acetamide?
The InChIKey is FWFIDCHYTWIZMT-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-8(2)10(12-9(3)14)11(15)13-4-6-16-7-5-13/h8,10H,4-7H2,1-3H3,(H,12,14)/t10-/m1/s1.
What are the key properties of N-[(2R)-3-methyl-1-oxo-1-thiomorpholin-4-ylbutan-2-yl]acetamide?
N-[(2R)-3-methyl-1-oxo-1-thiomorpholin-4-ylbutan-2-yl]acetamide has a molecular weight of 244.36 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-methyl-1-oxo-1-thiomorpholin-4-ylbutan-2-yl]acetamide is sourced from PubChem (CID 94205531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).