1-(1-methylsulfonylpropan-2-yl)piperidin-2-imine

C9H18N2O2S — CID 64643405

IUPAC1-(1-methylsulfonylpropan-2-yl)piperidin-2-imine
SMILES[H]/N=C1\CCCCN1C(C)CS(C)(=O)=O
InChIInChI=1S/C9H18N2O2S/c1-8(7-14(2,12)13)11-6-4-3-5-9(11)10/h8,10H,3-7H2,1-2H3/b10-9+
InChIKeyJJPONROTDMOQBX-MDZDMXLPSA-N
MW218.32 g/mol
LogP0.88
Rot. Bonds3

About 1-(1-methylsulfonylpropan-2-yl)piperidin-2-imine

1-(1-methylsulfonylpropan-2-yl)piperidin-2-imine (PubChem CID 64643405) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 1-(1-methylsulfonylpropan-2-yl)piperidin-2-imine.

Molecular Properties

Compound Name1-(1-methylsulfonylpropan-2-yl)piperidin-2-imine
PubChem CID64643405
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC Name1-(1-methylsulfonylpropan-2-yl)piperidin-2-imine
SMILES[H]/N=C1\CCCCN1C(C)CS(C)(=O)=O
InChIInChI=1S/C9H18N2O2S/c1-8(7-14(2,12)13)11-6-4-3-5-9(11)10/h8,10H,3-7H2,1-2H3/b10-9+
InChIKeyJJPONROTDMOQBX-MDZDMXLPSA-N
XLogP0.88
TPSA61.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylsulfonylpropan-2-yl)piperidin-2-imine?
The IUPAC name of 1-(1-methylsulfonylpropan-2-yl)piperidin-2-imine (CID 64643405) is 1-(1-methylsulfonylpropan-2-yl)piperidin-2-imine.
What is the SMILES notation for 1-(1-methylsulfonylpropan-2-yl)piperidin-2-imine?
The canonical SMILES for 1-(1-methylsulfonylpropan-2-yl)piperidin-2-imine is [H]/N=C1\CCCCN1C(C)CS(C)(=O)=O.
What is the InChIKey of 1-(1-methylsulfonylpropan-2-yl)piperidin-2-imine?
The InChIKey is JJPONROTDMOQBX-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H18N2O2S/c1-8(7-14(2,12)13)11-6-4-3-5-9(11)10/h8,10H,3-7H2,1-2H3/b10-9+.
What are the key properties of 1-(1-methylsulfonylpropan-2-yl)piperidin-2-imine?
1-(1-methylsulfonylpropan-2-yl)piperidin-2-imine has a molecular weight of 218.32 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylsulfonylpropan-2-yl)piperidin-2-imine is sourced from PubChem (CID 64643405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).