[3-methylsulfonyl-1-(4-propan-2-ylthiadiazol-5-yl)propyl]hydrazine

C9H18N4O2S2 — CID 114985237

IUPAC[3-methylsulfonyl-1-(4-propan-2-ylthiadiazol-5-yl)propyl]hydrazine
SMILESCC(C)c1nnsc1C(CCS(C)(=O)=O)NN
InChIInChI=1S/C9H18N4O2S2/c1-6(2)8-9(16-13-12-8)7(11-10)4-5-17(3,14)15/h6-7,11H,4-5,10H2,1-3H3
InChIKeyVDQQEWHZSVNYHQ-UHFFFAOYSA-N
MW278.40 g/mol
LogP0.60
Rot. Bonds6

About [3-methylsulfonyl-1-(4-propan-2-ylthiadiazol-5-yl)propyl]hydrazine

[3-methylsulfonyl-1-(4-propan-2-ylthiadiazol-5-yl)propyl]hydrazine (PubChem CID 114985237) has the molecular formula C9H18N4O2S2 and a molecular weight of 278.40 g/mol. Its IUPAC name is [3-methylsulfonyl-1-(4-propan-2-ylthiadiazol-5-yl)propyl]hydrazine.

Molecular Properties

Compound Name[3-methylsulfonyl-1-(4-propan-2-ylthiadiazol-5-yl)propyl]hydrazine
PubChem CID114985237
Molecular FormulaC9H18N4O2S2
Molecular Weight278.40 g/mol
Exact Mass278.09
IUPAC Name[3-methylsulfonyl-1-(4-propan-2-ylthiadiazol-5-yl)propyl]hydrazine
SMILESCC(C)c1nnsc1C(CCS(C)(=O)=O)NN
InChIInChI=1S/C9H18N4O2S2/c1-6(2)8-9(16-13-12-8)7(11-10)4-5-17(3,14)15/h6-7,11H,4-5,10H2,1-3H3
InChIKeyVDQQEWHZSVNYHQ-UHFFFAOYSA-N
XLogP0.60
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 50.60
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

3-methylsulfonyl-1-(4-propan-2-ylthiadiazol-5-yl)-N-propylpropan-1-amine
CID 114984252
[3-cyclopropyl-1-(4-propan-2-ylthiadiazol-5-yl)propyl]hydrazine
CID 105315237
[3-methylsulfonyl-1-(thiadiazol-4-yl)propyl]hydrazine
CID 114985053
[1-(4-tert-butylthiadiazol-5-yl)-4-methylsulfonylbutyl]hydrazine
CID 105291025
[3-methyl-1-(4-propan-2-ylthiadiazol-5-yl)but-3-enyl]hydrazine
CID 105319688
[1-(4-propan-2-ylthiadiazol-5-yl)-2-(2,4,6-trimethylphenyl)ethyl]hydrazine
CID 105292783
(3-methylsulfonyl-1-pyrimidin-2-ylpropyl)hydrazine
CID 114984570
[2-(4-methyl-1,3-thiazol-2-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethyl]hydrazine
CID 105326691
1-(4-propan-2-ylthiadiazol-5-yl)-N-propylbutan-1-amine
CID 105080416
[2-(2-methoxyphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethyl]hydrazine
CID 105289507
[4-methoxy-2-methyl-1-(4-propan-2-ylthiadiazol-5-yl)butyl]hydrazine
CID 105338088
(3-methylsulfonyl-1-thiophen-3-ylpropyl)hydrazine
CID 114984529

Frequently Asked Questions

What is the IUPAC name of [3-methylsulfonyl-1-(4-propan-2-ylthiadiazol-5-yl)propyl]hydrazine?
The IUPAC name of [3-methylsulfonyl-1-(4-propan-2-ylthiadiazol-5-yl)propyl]hydrazine (CID 114985237) is [3-methylsulfonyl-1-(4-propan-2-ylthiadiazol-5-yl)propyl]hydrazine.
What is the SMILES notation for [3-methylsulfonyl-1-(4-propan-2-ylthiadiazol-5-yl)propyl]hydrazine?
The canonical SMILES for [3-methylsulfonyl-1-(4-propan-2-ylthiadiazol-5-yl)propyl]hydrazine is CC(C)c1nnsc1C(CCS(C)(=O)=O)NN.
What is the InChIKey of [3-methylsulfonyl-1-(4-propan-2-ylthiadiazol-5-yl)propyl]hydrazine?
The InChIKey is VDQQEWHZSVNYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O2S2/c1-6(2)8-9(16-13-12-8)7(11-10)4-5-17(3,14)15/h6-7,11H,4-5,10H2,1-3H3.
What are the key properties of [3-methylsulfonyl-1-(4-propan-2-ylthiadiazol-5-yl)propyl]hydrazine?
[3-methylsulfonyl-1-(4-propan-2-ylthiadiazol-5-yl)propyl]hydrazine has a molecular weight of 278.40 g/mol, XLogP of 0.60, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methylsulfonyl-1-(4-propan-2-ylthiadiazol-5-yl)propyl]hydrazine is sourced from PubChem (CID 114985237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).