3-hydrazinyl-N,N-dimethyl-3-(3-methylsulfonylcyclohexyl)propan-1-amine

C12H27N3O2S — CID 105259284

IUPAC3-hydrazinyl-N,N-dimethyl-3-(3-methylsulfonylcyclohexyl)propan-1-amine
SMILESCN(C)CCC(NN)C1CCCC(S(C)(=O)=O)C1
InChIInChI=1S/C12H27N3O2S/c1-15(2)8-7-12(14-13)10-5-4-6-11(9-10)18(3,16)17/h10-12,14H,4-9,13H2,1-3H3
InChIKeyPUDYZVZXHOOJJT-UHFFFAOYSA-N
MW277.43 g/mol
LogP0.37
Rot. Bonds6

About 3-hydrazinyl-N,N-dimethyl-3-(3-methylsulfonylcyclohexyl)propan-1-amine

3-hydrazinyl-N,N-dimethyl-3-(3-methylsulfonylcyclohexyl)propan-1-amine (PubChem CID 105259284) has the molecular formula C12H27N3O2S and a molecular weight of 277.43 g/mol. Its IUPAC name is 3-hydrazinyl-N,N-dimethyl-3-(3-methylsulfonylcyclohexyl)propan-1-amine.

Molecular Properties

Compound Name3-hydrazinyl-N,N-dimethyl-3-(3-methylsulfonylcyclohexyl)propan-1-amine
PubChem CID105259284
Molecular FormulaC12H27N3O2S
Molecular Weight277.43 g/mol
Exact Mass277.18
IUPAC Name3-hydrazinyl-N,N-dimethyl-3-(3-methylsulfonylcyclohexyl)propan-1-amine
SMILESCN(C)CCC(NN)C1CCCC(S(C)(=O)=O)C1
InChIInChI=1S/C12H27N3O2S/c1-15(2)8-7-12(14-13)10-5-4-6-11(9-10)18(3,16)17/h10-12,14H,4-9,13H2,1-3H3
InChIKeyPUDYZVZXHOOJJT-UHFFFAOYSA-N
XLogP0.37
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 50.37
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-methylsulfanyl-1-(3-methylsulfonylcyclohexyl)ethyl]hydrazine
CID 105213955
[2-cyclohexyl-1-(3-methylsulfonylcyclohexyl)ethyl]hydrazine
CID 105324224
3-(3-ethylcyclohexyl)-3-hydrazinyl-N,N-dimethylpropan-1-amine
CID 105259229
[cyclopentyl-(3-methylsulfonylcyclohexyl)methyl]hydrazine
CID 105204403
2-cycloheptyl-N-methyl-1-(3-methylsulfonylcyclohexyl)ethanamine
CID 105014178
N,N-diethyl-1-hydrazinyl-2-methyl-1-(3-methylsulfonylcyclohexyl)propan-2-amine
CID 105239337
dimethyl 2-(3-methylsulfonylcyclohexyl)propanedioate
CID 103972496
N-ethyl-1-(3-methylsulfonylcyclohexyl)octan-1-amine
CID 105014365
[(4-fluorophenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
CID 105192762
N-ethyl-3-methyl-1-(3-methylsulfonylcyclohexyl)pentan-1-amine
CID 105014219
[2-ethoxy-2-methyl-1-(3-methylsulfonylcyclohexyl)butyl]hydrazine
CID 105274820
[(3-methylsulfonylcyclohexyl)-(oxolan-3-yl)methyl]hydrazine
CID 105229423

Frequently Asked Questions

What is the IUPAC name of 3-hydrazinyl-N,N-dimethyl-3-(3-methylsulfonylcyclohexyl)propan-1-amine?
The IUPAC name of 3-hydrazinyl-N,N-dimethyl-3-(3-methylsulfonylcyclohexyl)propan-1-amine (CID 105259284) is 3-hydrazinyl-N,N-dimethyl-3-(3-methylsulfonylcyclohexyl)propan-1-amine.
What is the SMILES notation for 3-hydrazinyl-N,N-dimethyl-3-(3-methylsulfonylcyclohexyl)propan-1-amine?
The canonical SMILES for 3-hydrazinyl-N,N-dimethyl-3-(3-methylsulfonylcyclohexyl)propan-1-amine is CN(C)CCC(NN)C1CCCC(S(C)(=O)=O)C1.
What is the InChIKey of 3-hydrazinyl-N,N-dimethyl-3-(3-methylsulfonylcyclohexyl)propan-1-amine?
The InChIKey is PUDYZVZXHOOJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2S/c1-15(2)8-7-12(14-13)10-5-4-6-11(9-10)18(3,16)17/h10-12,14H,4-9,13H2,1-3H3.
What are the key properties of 3-hydrazinyl-N,N-dimethyl-3-(3-methylsulfonylcyclohexyl)propan-1-amine?
3-hydrazinyl-N,N-dimethyl-3-(3-methylsulfonylcyclohexyl)propan-1-amine has a molecular weight of 277.43 g/mol, XLogP of 0.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydrazinyl-N,N-dimethyl-3-(3-methylsulfonylcyclohexyl)propan-1-amine is sourced from PubChem (CID 105259284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).