N-hydroxy-2-thiomorpholin-4-ylpropanamide

C7H14N2O2S — CID 130625888

IUPACN-hydroxy-2-thiomorpholin-4-ylpropanamide
SMILESCC(C(=O)NO)N1CCSCC1
InChIInChI=1S/C7H14N2O2S/c1-6(7(10)8-11)9-2-4-12-5-3-9/h6,11H,2-5H2,1H3,(H,8,10)
InChIKeyPITQLTYBVRQPEI-UHFFFAOYSA-N
MW190.27 g/mol
LogP-0.07
Rot. Bonds2

About N-hydroxy-2-thiomorpholin-4-ylpropanamide

N-hydroxy-2-thiomorpholin-4-ylpropanamide (PubChem CID 130625888) has the molecular formula C7H14N2O2S and a molecular weight of 190.27 g/mol. Its IUPAC name is N-hydroxy-2-thiomorpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-hydroxy-2-thiomorpholin-4-ylpropanamide
PubChem CID130625888
Molecular FormulaC7H14N2O2S
Molecular Weight190.27 g/mol
Exact Mass190.08
IUPAC NameN-hydroxy-2-thiomorpholin-4-ylpropanamide
SMILESCC(C(=O)NO)N1CCSCC1
InChIInChI=1S/C7H14N2O2S/c1-6(7(10)8-11)9-2-4-12-5-3-9/h6,11H,2-5H2,1H3,(H,8,10)
InChIKeyPITQLTYBVRQPEI-UHFFFAOYSA-N
XLogP-0.07
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-3-thiomorpholin-4-ylbutanehydrazide
CID 79408786
N-(2-fluoro-4-methylphenyl)-2-thiomorpholin-4-ylpropanamide
CID 86993661
N-[(4-methylphenyl)methyl]-2-thiomorpholin-4-ylpropanamide
CID 86993654
(2S)-N-[2-(propylamino)phenyl]-2-thiomorpholin-4-ylpropanamide
CID 99830009
2-methyl-3-(1,4-thiazepan-4-yl)butanehydrazide
CID 79408484
(2R)-2-[4,7-bis[(2R)-1-(methylamino)-1-oxopropan-2-yl]-1,4,7-triazonan-1-yl]-N-methylpropanamide
CID 177439425
N-[1-(4,4-difluorocyclohexyl)-2-hydroxyethyl]-2-thiomorpholin-4-ylpropanamide
CID 166315930
(2R)-N-[(2S)-2-anilinopropyl]-2-thiomorpholin-4-ylpropanamide
CID 97329791
N-(2-cyclohexyl-1-hydroxypropan-2-yl)-2-thiomorpholin-4-ylpropanamide
CID 86792246
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-thiomorpholin-4-ylpropanamide
CID 166190895
1-phenyl-2-thiomorpholin-4-ylpropan-1-one
CID 60863276
N-(2-benzylphenyl)-2-thiomorpholin-4-ylpropanamide
CID 71933436

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-thiomorpholin-4-ylpropanamide?
The IUPAC name of N-hydroxy-2-thiomorpholin-4-ylpropanamide (CID 130625888) is N-hydroxy-2-thiomorpholin-4-ylpropanamide.
What is the SMILES notation for N-hydroxy-2-thiomorpholin-4-ylpropanamide?
The canonical SMILES for N-hydroxy-2-thiomorpholin-4-ylpropanamide is CC(C(=O)NO)N1CCSCC1.
What is the InChIKey of N-hydroxy-2-thiomorpholin-4-ylpropanamide?
The InChIKey is PITQLTYBVRQPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2S/c1-6(7(10)8-11)9-2-4-12-5-3-9/h6,11H,2-5H2,1H3,(H,8,10).
What are the key properties of N-hydroxy-2-thiomorpholin-4-ylpropanamide?
N-hydroxy-2-thiomorpholin-4-ylpropanamide has a molecular weight of 190.27 g/mol, XLogP of -0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-thiomorpholin-4-ylpropanamide is sourced from PubChem (CID 130625888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).