[1-(cyclohepten-1-yl)-2-methylsulfonylpropyl]hydrazine

C11H22N2O2S — CID 106650275

IUPAC[1-(cyclohepten-1-yl)-2-methylsulfonylpropyl]hydrazine
SMILESCC(C(NN)C1=CCCCCC1)S(C)(=O)=O
InChIInChI=1S/C11H22N2O2S/c1-9(16(2,14)15)11(13-12)10-7-5-3-4-6-8-10/h7,9,11,13H,3-6,8,12H2,1-2H3
InChIKeyLDBXISWGBGNBBK-UHFFFAOYSA-N
MW246.38 g/mol
LogP1.14
Rot. Bonds4

About [1-(cyclohepten-1-yl)-2-methylsulfonylpropyl]hydrazine

[1-(cyclohepten-1-yl)-2-methylsulfonylpropyl]hydrazine (PubChem CID 106650275) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is [1-(cyclohepten-1-yl)-2-methylsulfonylpropyl]hydrazine.

Molecular Properties

Compound Name[1-(cyclohepten-1-yl)-2-methylsulfonylpropyl]hydrazine
PubChem CID106650275
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC Name[1-(cyclohepten-1-yl)-2-methylsulfonylpropyl]hydrazine
SMILESCC(C(NN)C1=CCCCCC1)S(C)(=O)=O
InChIInChI=1S/C11H22N2O2S/c1-9(16(2,14)15)11(13-12)10-7-5-3-4-6-8-10/h7,9,11,13H,3-6,8,12H2,1-2H3
InChIKeyLDBXISWGBGNBBK-UHFFFAOYSA-N
XLogP1.14
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(cycloocten-1-yl)-N-methyl-2-methylsulfonylpropan-1-amine
CID 106656405
1-(cyclohepten-1-yl)-2-methylsulfonyl-N-propylpropan-1-amine
CID 113422022
[1-(cyclohexen-1-yl)-2-methylbutyl]hydrazine
CID 106648898
[1-(cycloocten-1-yl)-2-ethoxybutyl]hydrazine
CID 106649558
[1-(cyclohepten-1-yl)-2,2-dimethylpropyl]hydrazine
CID 106648666
[1-(cyclohepten-1-yl)-3-methylbutyl]hydrazine
CID 106648613
[2-cyclohexyl-1-(cycloocten-1-yl)-2-methoxyethyl]hydrazine
CID 106649654
[1-(cycloocten-1-yl)-2-cyclopropyl-2-ethoxyethyl]hydrazine
CID 106649582
1-[1-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]cyclohexene
CID 131891661
1-(cycloocten-1-yl)-N-methylethanamine
CID 106652570
1-(cyclohepten-1-yl)-2,2-difluoro-N-methylethanamine
CID 106657108
methyl 2-(cyclohexen-1-yl)-2-methylsulfonyloxyacetate
CID 11831789

Frequently Asked Questions

What is the IUPAC name of [1-(cyclohepten-1-yl)-2-methylsulfonylpropyl]hydrazine?
The IUPAC name of [1-(cyclohepten-1-yl)-2-methylsulfonylpropyl]hydrazine (CID 106650275) is [1-(cyclohepten-1-yl)-2-methylsulfonylpropyl]hydrazine.
What is the SMILES notation for [1-(cyclohepten-1-yl)-2-methylsulfonylpropyl]hydrazine?
The canonical SMILES for [1-(cyclohepten-1-yl)-2-methylsulfonylpropyl]hydrazine is CC(C(NN)C1=CCCCCC1)S(C)(=O)=O.
What is the InChIKey of [1-(cyclohepten-1-yl)-2-methylsulfonylpropyl]hydrazine?
The InChIKey is LDBXISWGBGNBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-9(16(2,14)15)11(13-12)10-7-5-3-4-6-8-10/h7,9,11,13H,3-6,8,12H2,1-2H3.
What are the key properties of [1-(cyclohepten-1-yl)-2-methylsulfonylpropyl]hydrazine?
[1-(cyclohepten-1-yl)-2-methylsulfonylpropyl]hydrazine has a molecular weight of 246.38 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclohepten-1-yl)-2-methylsulfonylpropyl]hydrazine is sourced from PubChem (CID 106650275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).