3-thiomorpholin-4-ylbutanehydrazide

C8H17N3OS — CID 63569224

IUPAC3-thiomorpholin-4-ylbutanehydrazide
SMILESCC(CC(=O)NN)N1CCSCC1
InChIInChI=1S/C8H17N3OS/c1-7(6-8(12)10-9)11-2-4-13-5-3-11/h7H,2-6,9H2,1H3,(H,10,12)
InChIKeyVWWAUBFWMHHKKU-UHFFFAOYSA-N
MW203.31 g/mol
LogP-0.20
Rot. Bonds3

About 3-thiomorpholin-4-ylbutanehydrazide

3-thiomorpholin-4-ylbutanehydrazide (PubChem CID 63569224) has the molecular formula C8H17N3OS and a molecular weight of 203.31 g/mol. Its IUPAC name is 3-thiomorpholin-4-ylbutanehydrazide.

Molecular Properties

Compound Name3-thiomorpholin-4-ylbutanehydrazide
PubChem CID63569224
Molecular FormulaC8H17N3OS
Molecular Weight203.31 g/mol
Exact Mass203.11
IUPAC Name3-thiomorpholin-4-ylbutanehydrazide
SMILESCC(CC(=O)NN)N1CCSCC1
InChIInChI=1S/C8H17N3OS/c1-7(6-8(12)10-9)11-2-4-13-5-3-11/h7H,2-6,9H2,1H3,(H,10,12)
InChIKeyVWWAUBFWMHHKKU-UHFFFAOYSA-N
XLogP-0.20
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 5-0.20
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

3-(4-butan-2-ylpiperazin-1-yl)butanehydrazide
CID 63573949
4-(1,4-thiazepan-4-yl)pentanehydrazide
CID 63578775
3-[4-(2-methylpropyl)piperazin-1-yl]butanehydrazide
CID 63572637
3-[4-(methoxymethyl)piperidin-1-yl]butanehydrazide
CID 63980494
3-(4-ethoxypiperidin-1-yl)butanehydrazide
CID 63573765
2-methyl-3-thiomorpholin-4-ylbutanehydrazide
CID 79408786
3-(2,2-dimethylpyrrolidin-1-yl)butanehydrazide
CID 63585215
bis(2-thiomorpholin-4-ylpropyl) (E)-but-2-enedioate
CID 122688831
3-(1,4-thiazepan-4-yl)butanethioamide
CID 61419827
4-amino-N-propyl-3-thiomorpholin-4-ylbutanamide
CID 66426330
3-(2-methylpyrrolidin-1-yl)butanehydrazide
CID 63569163
2-methyl-3-(1,4-thiazepan-4-yl)butanehydrazide
CID 79408484

Frequently Asked Questions

What is the IUPAC name of 3-thiomorpholin-4-ylbutanehydrazide?
The IUPAC name of 3-thiomorpholin-4-ylbutanehydrazide (CID 63569224) is 3-thiomorpholin-4-ylbutanehydrazide.
What is the SMILES notation for 3-thiomorpholin-4-ylbutanehydrazide?
The canonical SMILES for 3-thiomorpholin-4-ylbutanehydrazide is CC(CC(=O)NN)N1CCSCC1.
What is the InChIKey of 3-thiomorpholin-4-ylbutanehydrazide?
The InChIKey is VWWAUBFWMHHKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3OS/c1-7(6-8(12)10-9)11-2-4-13-5-3-11/h7H,2-6,9H2,1H3,(H,10,12).
What are the key properties of 3-thiomorpholin-4-ylbutanehydrazide?
3-thiomorpholin-4-ylbutanehydrazide has a molecular weight of 203.31 g/mol, XLogP of -0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiomorpholin-4-ylbutanehydrazide is sourced from PubChem (CID 63569224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).