1-(4-methylthiomorpholin-3-yl)but-3-ynylhydrazine

C9H17N3S — CID 106446396

IUPAC1-(4-methylthiomorpholin-3-yl)but-3-ynylhydrazine
SMILESC#CCC(NN)C1CSCCN1C
InChIInChI=1S/C9H17N3S/c1-3-4-8(11-10)9-7-13-6-5-12(9)2/h1,8-9,11H,4-7,10H2,2H3
InChIKeyPNOUFTFHUCRIBF-UHFFFAOYSA-N
MW199.32 g/mol
LogP-0.11
Rot. Bonds3

About 1-(4-methylthiomorpholin-3-yl)but-3-ynylhydrazine

1-(4-methylthiomorpholin-3-yl)but-3-ynylhydrazine (PubChem CID 106446396) has the molecular formula C9H17N3S and a molecular weight of 199.32 g/mol. Its IUPAC name is 1-(4-methylthiomorpholin-3-yl)but-3-ynylhydrazine.

Molecular Properties

Compound Name1-(4-methylthiomorpholin-3-yl)but-3-ynylhydrazine
PubChem CID106446396
Molecular FormulaC9H17N3S
Molecular Weight199.32 g/mol
Exact Mass199.11
IUPAC Name1-(4-methylthiomorpholin-3-yl)but-3-ynylhydrazine
SMILESC#CCC(NN)C1CSCCN1C
InChIInChI=1S/C9H17N3S/c1-3-4-8(11-10)9-7-13-6-5-12(9)2/h1,8-9,11H,4-7,10H2,2H3
InChIKeyPNOUFTFHUCRIBF-UHFFFAOYSA-N
XLogP-0.11
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[1-(4-methylthiomorpholin-3-yl)-2-propan-2-yloxyethyl]hydrazine
CID 106446561
[3-methyl-1-(4-methylthiomorpholin-3-yl)pentyl]hydrazine
CID 106446448
1-(4-methylthiomorpholin-3-yl)nonylhydrazine
CID 106446283
[1-(4-methylthiomorpholin-3-yl)-2-phenylethyl]hydrazine
CID 106446350
[4-methylsulfonyl-1-(4-methylthiomorpholin-3-yl)butyl]hydrazine
CID 106446242
[2-(4-ethylphenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]hydrazine
CID 106446480
[2-(1-methylimidazol-2-yl)-1-(4-methylthiomorpholin-3-yl)ethyl]hydrazine
CID 106446326
[1-(4-methylthiomorpholin-3-yl)-4-phenylbutyl]hydrazine
CID 106446486
[2-(2,5-difluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]hydrazine
CID 106446251
[2-(3-bromothiophen-2-yl)-1-(4-methylthiomorpholin-3-yl)ethyl]hydrazine
CID 106446358
3-[2-hydrazinyl-2-(4-methylthiomorpholin-3-yl)ethyl]pyridin-2-amine
CID 106446527
1-(4-methylthiomorpholin-3-yl)pent-3-yn-1-amine
CID 103595850

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylthiomorpholin-3-yl)but-3-ynylhydrazine?
The IUPAC name of 1-(4-methylthiomorpholin-3-yl)but-3-ynylhydrazine (CID 106446396) is 1-(4-methylthiomorpholin-3-yl)but-3-ynylhydrazine.
What is the SMILES notation for 1-(4-methylthiomorpholin-3-yl)but-3-ynylhydrazine?
The canonical SMILES for 1-(4-methylthiomorpholin-3-yl)but-3-ynylhydrazine is C#CCC(NN)C1CSCCN1C.
What is the InChIKey of 1-(4-methylthiomorpholin-3-yl)but-3-ynylhydrazine?
The InChIKey is PNOUFTFHUCRIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3S/c1-3-4-8(11-10)9-7-13-6-5-12(9)2/h1,8-9,11H,4-7,10H2,2H3.
What are the key properties of 1-(4-methylthiomorpholin-3-yl)but-3-ynylhydrazine?
1-(4-methylthiomorpholin-3-yl)but-3-ynylhydrazine has a molecular weight of 199.32 g/mol, XLogP of -0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylthiomorpholin-3-yl)but-3-ynylhydrazine is sourced from PubChem (CID 106446396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).