[1-(6-chloro-3-pyridinyl)-4-methylsulfonylbutyl]hydrazine

C10H16ClN3O2S — CID 105252974

IUPAC[1-(6-chloro-3-pyridinyl)-4-methylsulfonylbutyl]hydrazine
SMILESCS(=O)(=O)CCCC(NN)c1ccc(Cl)nc1
InChIInChI=1S/C10H16ClN3O2S/c1-17(15,16)6-2-3-9(14-12)8-4-5-10(11)13-7-8/h4-5,7,9,14H,2-3,6,12H2,1H3
InChIKeyBFRVFQJRUCNBFC-UHFFFAOYSA-N
MW277.78 g/mol
LogP1.06
Rot. Bonds6

About [1-(6-chloro-3-pyridinyl)-4-methylsulfonylbutyl]hydrazine

[1-(6-chloro-3-pyridinyl)-4-methylsulfonylbutyl]hydrazine (PubChem CID 105252974) has the molecular formula C10H16ClN3O2S and a molecular weight of 277.78 g/mol. Its IUPAC name is [1-(6-chloro-3-pyridinyl)-4-methylsulfonylbutyl]hydrazine.

Molecular Properties

Compound Name[1-(6-chloro-3-pyridinyl)-4-methylsulfonylbutyl]hydrazine
PubChem CID105252974
Molecular FormulaC10H16ClN3O2S
Molecular Weight277.78 g/mol
Exact Mass277.07
IUPAC Name[1-(6-chloro-3-pyridinyl)-4-methylsulfonylbutyl]hydrazine
SMILESCS(=O)(=O)CCCC(NN)c1ccc(Cl)nc1
InChIInChI=1S/C10H16ClN3O2S/c1-17(15,16)6-2-3-9(14-12)8-4-5-10(11)13-7-8/h4-5,7,9,14H,2-3,6,12H2,1H3
InChIKeyBFRVFQJRUCNBFC-UHFFFAOYSA-N
XLogP1.06
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.78
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[1-(6-methyl-3-pyridinyl)-4-methylsulfonylbutyl]hydrazine
CID 105290849
[1-(6-chloro-3-pyridinyl)-4-methylpentyl]hydrazine
CID 105252913
[1-(4-ethylphenyl)-4-methylsulfonylbutyl]hydrazine
CID 105197317
[1-(3,4-dimethylphenyl)-4-methylsulfonylbutyl]hydrazine
CID 105290819
[1-(3,5-dimethylphenyl)-4-methylsulfonylbutyl]hydrazine
CID 105290938
[4-methylsulfonyl-1-[4-(trifluoromethoxy)phenyl]butyl]hydrazine
CID 105290912
[1-(4-methyl-3-pyridinyl)-4-methylsulfonylbutyl]hydrazine
CID 105279776
[1-(6-chloro-3-pyridinyl)-2-propan-2-yloxyethyl]hydrazine
CID 105253183
[1-(3-chloro-4-methylthiophen-2-yl)-4-methylsulfonylbutyl]hydrazine
CID 103408445
[1-(6-chloro-3-pyridinyl)-2-cyclopentylethyl]hydrazine
CID 105252962
[1-(2,4-dimethylphenyl)-4-methylsulfonylbutyl]hydrazine
CID 105290842
1-(6-methoxy-3-pyridinyl)-4-methylsulfonylbutan-1-ol
CID 114938017

Frequently Asked Questions

What is the IUPAC name of [1-(6-chloro-3-pyridinyl)-4-methylsulfonylbutyl]hydrazine?
The IUPAC name of [1-(6-chloro-3-pyridinyl)-4-methylsulfonylbutyl]hydrazine (CID 105252974) is [1-(6-chloro-3-pyridinyl)-4-methylsulfonylbutyl]hydrazine.
What is the SMILES notation for [1-(6-chloro-3-pyridinyl)-4-methylsulfonylbutyl]hydrazine?
The canonical SMILES for [1-(6-chloro-3-pyridinyl)-4-methylsulfonylbutyl]hydrazine is CS(=O)(=O)CCCC(NN)c1ccc(Cl)nc1.
What is the InChIKey of [1-(6-chloro-3-pyridinyl)-4-methylsulfonylbutyl]hydrazine?
The InChIKey is BFRVFQJRUCNBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O2S/c1-17(15,16)6-2-3-9(14-12)8-4-5-10(11)13-7-8/h4-5,7,9,14H,2-3,6,12H2,1H3.
What are the key properties of [1-(6-chloro-3-pyridinyl)-4-methylsulfonylbutyl]hydrazine?
[1-(6-chloro-3-pyridinyl)-4-methylsulfonylbutyl]hydrazine has a molecular weight of 277.78 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-chloro-3-pyridinyl)-4-methylsulfonylbutyl]hydrazine is sourced from PubChem (CID 105252974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).