2-methyl-3-thiomorpholin-4-ylbutanehydrazide

C9H19N3OS — CID 79408786

IUPAC2-methyl-3-thiomorpholin-4-ylbutanehydrazide
SMILESCC(C(=O)NN)C(C)N1CCSCC1
InChIInChI=1S/C9H19N3OS/c1-7(9(13)11-10)8(2)12-3-5-14-6-4-12/h7-8H,3-6,10H2,1-2H3,(H,11,13)
InChIKeyLISOAEXQUDJGMC-UHFFFAOYSA-N
MW217.34 g/mol
LogP0.05
Rot. Bonds3

About 2-methyl-3-thiomorpholin-4-ylbutanehydrazide

2-methyl-3-thiomorpholin-4-ylbutanehydrazide (PubChem CID 79408786) has the molecular formula C9H19N3OS and a molecular weight of 217.34 g/mol. Its IUPAC name is 2-methyl-3-thiomorpholin-4-ylbutanehydrazide.

Molecular Properties

Compound Name2-methyl-3-thiomorpholin-4-ylbutanehydrazide
PubChem CID79408786
Molecular FormulaC9H19N3OS
Molecular Weight217.34 g/mol
Exact Mass217.12
IUPAC Name2-methyl-3-thiomorpholin-4-ylbutanehydrazide
SMILESCC(C(=O)NN)C(C)N1CCSCC1
InChIInChI=1S/C9H19N3OS/c1-7(9(13)11-10)8(2)12-3-5-14-6-4-12/h7-8H,3-6,10H2,1-2H3,(H,11,13)
InChIKeyLISOAEXQUDJGMC-UHFFFAOYSA-N
XLogP0.05
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.34
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3-(1,4-thiazepan-4-yl)butanehydrazide
CID 79408484
3-(4,4-diethylpiperidin-1-yl)-2-methylbutanehydrazide
CID 79409752
N-hydroxy-2-thiomorpholin-4-ylpropanamide
CID 130625888
2-[1-(4-hydrazinyl-3-methyl-4-oxobutan-2-yl)piperidin-4-yl]acetamide
CID 79409446
3-thiomorpholin-4-ylbutanehydrazide
CID 63569224
3-(3,5-dimethylpiperidin-1-yl)-2-methylbutanehydrazide
CID 79409641
3-(2,2-dimethylpyrrolidin-1-yl)-2-methylbutanehydrazide
CID 79409006
2-methyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanehydrazide
CID 79408685
2-(1,4-thiazepan-4-yl)pentanehydrazide
CID 83047299
methyl 3-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-methylbutanoate
CID 107456494
2-methyl-3-[3-(trifluoromethyl)piperidin-1-yl]butanehydrazide
CID 79408805
3-(2-ethylmorpholin-4-yl)-2-methylbutanehydrazide
CID 79408999

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-thiomorpholin-4-ylbutanehydrazide?
The IUPAC name of 2-methyl-3-thiomorpholin-4-ylbutanehydrazide (CID 79408786) is 2-methyl-3-thiomorpholin-4-ylbutanehydrazide.
What is the SMILES notation for 2-methyl-3-thiomorpholin-4-ylbutanehydrazide?
The canonical SMILES for 2-methyl-3-thiomorpholin-4-ylbutanehydrazide is CC(C(=O)NN)C(C)N1CCSCC1.
What is the InChIKey of 2-methyl-3-thiomorpholin-4-ylbutanehydrazide?
The InChIKey is LISOAEXQUDJGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3OS/c1-7(9(13)11-10)8(2)12-3-5-14-6-4-12/h7-8H,3-6,10H2,1-2H3,(H,11,13).
What are the key properties of 2-methyl-3-thiomorpholin-4-ylbutanehydrazide?
2-methyl-3-thiomorpholin-4-ylbutanehydrazide has a molecular weight of 217.34 g/mol, XLogP of 0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-thiomorpholin-4-ylbutanehydrazide is sourced from PubChem (CID 79408786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).