[3-methylsulfonyl-1-(thiadiazol-4-yl)propyl]hydrazine

C6H12N4O2S2 — CID 114985053

IUPAC[3-methylsulfonyl-1-(thiadiazol-4-yl)propyl]hydrazine
SMILESCS(=O)(=O)CCC(NN)c1csnn1
InChIInChI=1S/C6H12N4O2S2/c1-14(11,12)3-2-5(8-7)6-4-13-10-9-6/h4-5,8H,2-3,7H2,1H3
InChIKeyXWKGTZRVCAJWIC-UHFFFAOYSA-N
MW236.32 g/mol
LogP-0.52
Rot. Bonds5

About [3-methylsulfonyl-1-(thiadiazol-4-yl)propyl]hydrazine

[3-methylsulfonyl-1-(thiadiazol-4-yl)propyl]hydrazine (PubChem CID 114985053) has the molecular formula C6H12N4O2S2 and a molecular weight of 236.32 g/mol. Its IUPAC name is [3-methylsulfonyl-1-(thiadiazol-4-yl)propyl]hydrazine.

Molecular Properties

Compound Name[3-methylsulfonyl-1-(thiadiazol-4-yl)propyl]hydrazine
PubChem CID114985053
Molecular FormulaC6H12N4O2S2
Molecular Weight236.32 g/mol
Exact Mass236.04
IUPAC Name[3-methylsulfonyl-1-(thiadiazol-4-yl)propyl]hydrazine
SMILESCS(=O)(=O)CCC(NN)c1csnn1
InChIInChI=1S/C6H12N4O2S2/c1-14(11,12)3-2-5(8-7)6-4-13-10-9-6/h4-5,8H,2-3,7H2,1H3
InChIKeyXWKGTZRVCAJWIC-UHFFFAOYSA-N
XLogP-0.52
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-(thiadiazol-4-yl)octylhydrazine
CID 105293500
1-(thiadiazol-4-yl)pent-4-enylhydrazine
CID 105311505
[3-methylsulfonyl-1-(4-propan-2-ylthiadiazol-5-yl)propyl]hydrazine
CID 114985237
(3-methylsulfonyl-1-pyrimidin-2-ylpropyl)hydrazine
CID 114984570
(3-methylsulfonyl-1-thiophen-3-ylpropyl)hydrazine
CID 114984529
[2-(3-methylphenyl)-1-(thiadiazol-4-yl)ethyl]hydrazine
CID 105285012
[1-(5-bromo-4-methylthiophen-2-yl)-3-methylsulfonylpropyl]hydrazine
CID 114985173
[1-(1-methylimidazol-2-yl)-3-methylsulfonylpropyl]hydrazine
CID 114984867
[2-(1-ethylpyrazol-4-yl)-1-(thiadiazol-4-yl)ethyl]hydrazine
CID 105291319
N-[2-(1-methylsulfonylpiperidin-3-yl)-1-(thiadiazol-4-yl)ethyl]propan-1-amine
CID 105166939
[1-(1,5-dimethylpyrazol-4-yl)-3-methylsulfonylpropyl]hydrazine
CID 114985127
[1-(5-bromo-3-pyridinyl)-3-methylsulfonylpropyl]hydrazine
CID 114984828

Frequently Asked Questions

What is the IUPAC name of [3-methylsulfonyl-1-(thiadiazol-4-yl)propyl]hydrazine?
The IUPAC name of [3-methylsulfonyl-1-(thiadiazol-4-yl)propyl]hydrazine (CID 114985053) is [3-methylsulfonyl-1-(thiadiazol-4-yl)propyl]hydrazine.
What is the SMILES notation for [3-methylsulfonyl-1-(thiadiazol-4-yl)propyl]hydrazine?
The canonical SMILES for [3-methylsulfonyl-1-(thiadiazol-4-yl)propyl]hydrazine is CS(=O)(=O)CCC(NN)c1csnn1.
What is the InChIKey of [3-methylsulfonyl-1-(thiadiazol-4-yl)propyl]hydrazine?
The InChIKey is XWKGTZRVCAJWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O2S2/c1-14(11,12)3-2-5(8-7)6-4-13-10-9-6/h4-5,8H,2-3,7H2,1H3.
What are the key properties of [3-methylsulfonyl-1-(thiadiazol-4-yl)propyl]hydrazine?
[3-methylsulfonyl-1-(thiadiazol-4-yl)propyl]hydrazine has a molecular weight of 236.32 g/mol, XLogP of -0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methylsulfonyl-1-(thiadiazol-4-yl)propyl]hydrazine is sourced from PubChem (CID 114985053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).