[1-(7-bicyclo[4.1.0]heptanyl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine

C15H29N3O2S — CID 105322801

IUPAC[1-(7-bicyclo[4.1.0]heptanyl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine
SMILESCS(=O)(=O)N1CCCC(CC(NN)C2C3CCCCC32)C1
InChIInChI=1S/C15H29N3O2S/c1-21(19,20)18-8-4-5-11(10-18)9-14(17-16)15-12-6-2-3-7-13(12)15/h11-15,17H,2-10,16H2,1H3
InChIKeyMUJGUVKKLFSISY-UHFFFAOYSA-N
MW315.48 g/mol
LogP1.32
Rot. Bonds5

About [1-(7-bicyclo[4.1.0]heptanyl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine

[1-(7-bicyclo[4.1.0]heptanyl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine (PubChem CID 105322801) has the molecular formula C15H29N3O2S and a molecular weight of 315.48 g/mol. Its IUPAC name is [1-(7-bicyclo[4.1.0]heptanyl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(7-bicyclo[4.1.0]heptanyl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine
PubChem CID105322801
Molecular FormulaC15H29N3O2S
Molecular Weight315.48 g/mol
Exact Mass315.20
IUPAC Name[1-(7-bicyclo[4.1.0]heptanyl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine
SMILESCS(=O)(=O)N1CCCC(CC(NN)C2C3CCCCC32)C1
InChIInChI=1S/C15H29N3O2S/c1-21(19,20)18-8-4-5-11(10-18)9-14(17-16)15-12-6-2-3-7-13(12)15/h11-15,17H,2-10,16H2,1H3
InChIKeyMUJGUVKKLFSISY-UHFFFAOYSA-N
XLogP1.32
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.48
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(1-methylsulfonylpiperidin-3-yl)-1-(thian-2-yl)ethyl]hydrazine
CID 105255803
[2-(1-methylsulfonylpiperidin-3-yl)-1-(oxolan-3-yl)ethyl]hydrazine
CID 105229386
N-methyl-1-(2-methylcyclopropyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 79622029
1-cyclopropyl-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 79609568
N-methyl-1-(4-methylcyclohexyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 79612143
N-methyl-2-(1-methylsulfonylpiperidin-3-yl)-1-(thian-2-yl)ethanamine
CID 80627676
N-ethyl-1-(1-methylsulfonylpiperidin-3-yl)propan-2-amine
CID 79611008
N-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-amine
CID 79611003
1-(4-ethylcyclohexyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 79610293
[1-(6-bicyclo[3.1.0]hexanyl)-2-cyclopentylethyl]hydrazine
CID 105299126
[1-(1-ethylcyclopentyl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine
CID 105322790
2-hydroxy-3-(1-methylsulfonylpiperidin-3-yl)propanal
CID 79612122

Frequently Asked Questions

What is the IUPAC name of [1-(7-bicyclo[4.1.0]heptanyl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine?
The IUPAC name of [1-(7-bicyclo[4.1.0]heptanyl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine (CID 105322801) is [1-(7-bicyclo[4.1.0]heptanyl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(7-bicyclo[4.1.0]heptanyl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine?
The canonical SMILES for [1-(7-bicyclo[4.1.0]heptanyl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine is CS(=O)(=O)N1CCCC(CC(NN)C2C3CCCCC32)C1.
What is the InChIKey of [1-(7-bicyclo[4.1.0]heptanyl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine?
The InChIKey is MUJGUVKKLFSISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2S/c1-21(19,20)18-8-4-5-11(10-18)9-14(17-16)15-12-6-2-3-7-13(12)15/h11-15,17H,2-10,16H2,1H3.
What are the key properties of [1-(7-bicyclo[4.1.0]heptanyl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine?
[1-(7-bicyclo[4.1.0]heptanyl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine has a molecular weight of 315.48 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(7-bicyclo[4.1.0]heptanyl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine is sourced from PubChem (CID 105322801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).