(3-methylsulfonyl-1-pyrimidin-2-ylpropyl)hydrazine

C8H14N4O2S — CID 114984570

IUPAC(3-methylsulfonyl-1-pyrimidin-2-ylpropyl)hydrazine
SMILESCS(=O)(=O)CCC(NN)c1ncccn1
InChIInChI=1S/C8H14N4O2S/c1-15(13,14)6-3-7(12-9)8-10-4-2-5-11-8/h2,4-5,7,12H,3,6,9H2,1H3
InChIKeyPVIUFJNOBSHZIZ-UHFFFAOYSA-N
MW230.29 g/mol
LogP-0.58
Rot. Bonds5

About (3-methylsulfonyl-1-pyrimidin-2-ylpropyl)hydrazine

(3-methylsulfonyl-1-pyrimidin-2-ylpropyl)hydrazine (PubChem CID 114984570) has the molecular formula C8H14N4O2S and a molecular weight of 230.29 g/mol. Its IUPAC name is (3-methylsulfonyl-1-pyrimidin-2-ylpropyl)hydrazine.

Molecular Properties

Compound Name(3-methylsulfonyl-1-pyrimidin-2-ylpropyl)hydrazine
PubChem CID114984570
Molecular FormulaC8H14N4O2S
Molecular Weight230.29 g/mol
Exact Mass230.08
IUPAC Name(3-methylsulfonyl-1-pyrimidin-2-ylpropyl)hydrazine
SMILESCS(=O)(=O)CCC(NN)c1ncccn1
InChIInChI=1S/C8H14N4O2S/c1-15(13,14)6-3-7(12-9)8-10-4-2-5-11-8/h2,4-5,7,12H,3,6,9H2,1H3
InChIKeyPVIUFJNOBSHZIZ-UHFFFAOYSA-N
XLogP-0.58
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-pyrimidin-2-ylpropan-1-ol
CID 62608221
[1-(1-methylimidazol-2-yl)-3-methylsulfonylpropyl]hydrazine
CID 114984867
(3-methylsulfonyl-1-quinolin-4-ylpropyl)hydrazine
CID 114985018
N-methyl-1-(3-methyl-2-pyridinyl)-3-methylsulfonylpropan-1-amine
CID 62603574
[1-(2-fluorophenyl)-3-methylsulfonylpropyl]hydrazine
CID 114984642
(3-methylsulfonyl-1-naphthalen-1-ylpropyl)hydrazine
CID 114984621
[3-methylsulfonyl-1-(thiadiazol-4-yl)propyl]hydrazine
CID 114985053
N-ethyl-1-(2-methyl-3-pyridinyl)-3-methylsulfonylpropan-1-amine
CID 114984281
N-(4-methylsulfonylbutan-2-yl)pyrimidin-2-amine
CID 133386855
(3-methylsulfonyl-1-thiophen-3-ylpropyl)hydrazine
CID 114984529
[1-(5-bromo-3-pyridinyl)-3-methylsulfonylpropyl]hydrazine
CID 114984828
[1-(1,5-dimethylpyrazol-4-yl)-3-methylsulfonylpropyl]hydrazine
CID 114985127

Frequently Asked Questions

What is the IUPAC name of (3-methylsulfonyl-1-pyrimidin-2-ylpropyl)hydrazine?
The IUPAC name of (3-methylsulfonyl-1-pyrimidin-2-ylpropyl)hydrazine (CID 114984570) is (3-methylsulfonyl-1-pyrimidin-2-ylpropyl)hydrazine.
What is the SMILES notation for (3-methylsulfonyl-1-pyrimidin-2-ylpropyl)hydrazine?
The canonical SMILES for (3-methylsulfonyl-1-pyrimidin-2-ylpropyl)hydrazine is CS(=O)(=O)CCC(NN)c1ncccn1.
What is the InChIKey of (3-methylsulfonyl-1-pyrimidin-2-ylpropyl)hydrazine?
The InChIKey is PVIUFJNOBSHZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2S/c1-15(13,14)6-3-7(12-9)8-10-4-2-5-11-8/h2,4-5,7,12H,3,6,9H2,1H3.
What are the key properties of (3-methylsulfonyl-1-pyrimidin-2-ylpropyl)hydrazine?
(3-methylsulfonyl-1-pyrimidin-2-ylpropyl)hydrazine has a molecular weight of 230.29 g/mol, XLogP of -0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylsulfonyl-1-pyrimidin-2-ylpropyl)hydrazine is sourced from PubChem (CID 114984570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).