[(3-methylsulfonylcyclohexyl)-(4-methylthiophen-3-yl)methyl]hydrazine

C13H22N2O2S2 — CID 105251851

IUPAC[(3-methylsulfonylcyclohexyl)-(4-methylthiophen-3-yl)methyl]hydrazine
SMILESCc1cscc1C(NN)C1CCCC(S(C)(=O)=O)C1
InChIInChI=1S/C13H22N2O2S2/c1-9-7-18-8-12(9)13(15-14)10-4-3-5-11(6-10)19(2,16)17/h7-8,10-11,13,15H,3-6,14H2,1-2H3
InChIKeyGWTDXINXVPLGMJ-UHFFFAOYSA-N
MW302.47 g/mol
LogP2.16
Rot. Bonds4

About [(3-methylsulfonylcyclohexyl)-(4-methylthiophen-3-yl)methyl]hydrazine

[(3-methylsulfonylcyclohexyl)-(4-methylthiophen-3-yl)methyl]hydrazine (PubChem CID 105251851) has the molecular formula C13H22N2O2S2 and a molecular weight of 302.47 g/mol. Its IUPAC name is [(3-methylsulfonylcyclohexyl)-(4-methylthiophen-3-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-methylsulfonylcyclohexyl)-(4-methylthiophen-3-yl)methyl]hydrazine
PubChem CID105251851
Molecular FormulaC13H22N2O2S2
Molecular Weight302.47 g/mol
Exact Mass302.11
IUPAC Name[(3-methylsulfonylcyclohexyl)-(4-methylthiophen-3-yl)methyl]hydrazine
SMILESCc1cscc1C(NN)C1CCCC(S(C)(=O)=O)C1
InChIInChI=1S/C13H22N2O2S2/c1-9-7-18-8-12(9)13(15-14)10-4-3-5-11(6-10)19(2,16)17/h7-8,10-11,13,15H,3-6,14H2,1-2H3
InChIKeyGWTDXINXVPLGMJ-UHFFFAOYSA-N
XLogP2.16
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.47
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

[(2,3-dimethylphenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
CID 105324176
[(2-chloro-4-methylphenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
CID 106860095
[(3,5-difluorophenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
CID 105207898
[(4-fluorophenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
CID 105192762
[(3-methylsulfonylcyclohexyl)-pyrimidin-5-ylmethyl]hydrazine
CID 102924262
[(3-methylphenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
CID 105200776
[(2-chloro-3-fluorophenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
CID 105324237
[(5-bromo-2-fluorophenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
CID 105280693
[(5-methyl-3-pyridinyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
CID 105324276
[(3-bromo-5-methylphenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
CID 105324194
[(3-methylsulfonylcyclohexyl)-pyrazin-2-ylmethyl]hydrazine
CID 105203403
[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(3-methylsulfonylcyclohexyl)methyl]hydrazine
CID 105324223

Frequently Asked Questions

What is the IUPAC name of [(3-methylsulfonylcyclohexyl)-(4-methylthiophen-3-yl)methyl]hydrazine?
The IUPAC name of [(3-methylsulfonylcyclohexyl)-(4-methylthiophen-3-yl)methyl]hydrazine (CID 105251851) is [(3-methylsulfonylcyclohexyl)-(4-methylthiophen-3-yl)methyl]hydrazine.
What is the SMILES notation for [(3-methylsulfonylcyclohexyl)-(4-methylthiophen-3-yl)methyl]hydrazine?
The canonical SMILES for [(3-methylsulfonylcyclohexyl)-(4-methylthiophen-3-yl)methyl]hydrazine is Cc1cscc1C(NN)C1CCCC(S(C)(=O)=O)C1.
What is the InChIKey of [(3-methylsulfonylcyclohexyl)-(4-methylthiophen-3-yl)methyl]hydrazine?
The InChIKey is GWTDXINXVPLGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S2/c1-9-7-18-8-12(9)13(15-14)10-4-3-5-11(6-10)19(2,16)17/h7-8,10-11,13,15H,3-6,14H2,1-2H3.
What are the key properties of [(3-methylsulfonylcyclohexyl)-(4-methylthiophen-3-yl)methyl]hydrazine?
[(3-methylsulfonylcyclohexyl)-(4-methylthiophen-3-yl)methyl]hydrazine has a molecular weight of 302.47 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-methylsulfonylcyclohexyl)-(4-methylthiophen-3-yl)methyl]hydrazine is sourced from PubChem (CID 105251851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).