4-cyclopropylsulfonylcyclohex-2-en-1-imine

C9H13NO2S — CID 91582958

IUPAC4-cyclopropylsulfonylcyclohex-2-en-1-imine
SMILES[H]/N=C1/C=CC(S(=O)(=O)C2CC2)CC1
InChIInChI=1S/C9H13NO2S/c10-7-1-3-8(4-2-7)13(11,12)9-5-6-9/h1,3,8-10H,2,4-6H2/b10-7-
InChIKeyZWSJFPAPJLTBGZ-YFHOEESVSA-N
MW199.28 g/mol
LogP1.30
Rot. Bonds2

About 4-cyclopropylsulfonylcyclohex-2-en-1-imine

4-cyclopropylsulfonylcyclohex-2-en-1-imine (PubChem CID 91582958) has the molecular formula C9H13NO2S and a molecular weight of 199.28 g/mol. Its IUPAC name is 4-cyclopropylsulfonylcyclohex-2-en-1-imine.

Molecular Properties

Compound Name4-cyclopropylsulfonylcyclohex-2-en-1-imine
PubChem CID91582958
Molecular FormulaC9H13NO2S
Molecular Weight199.28 g/mol
Exact Mass199.07
IUPAC Name4-cyclopropylsulfonylcyclohex-2-en-1-imine
SMILES[H]/N=C1/C=CC(S(=O)(=O)C2CC2)CC1
InChIInChI=1S/C9H13NO2S/c10-7-1-3-8(4-2-7)13(11,12)9-5-6-9/h1,3,8-10H,2,4-6H2/b10-7-
InChIKeyZWSJFPAPJLTBGZ-YFHOEESVSA-N
XLogP1.30
TPSA57.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.30
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 4-cyclopropylsulfonylcyclohex-2-en-1-imine?
The IUPAC name of 4-cyclopropylsulfonylcyclohex-2-en-1-imine (CID 91582958) is 4-cyclopropylsulfonylcyclohex-2-en-1-imine.
What is the SMILES notation for 4-cyclopropylsulfonylcyclohex-2-en-1-imine?
The canonical SMILES for 4-cyclopropylsulfonylcyclohex-2-en-1-imine is [H]/N=C1/C=CC(S(=O)(=O)C2CC2)CC1.
What is the InChIKey of 4-cyclopropylsulfonylcyclohex-2-en-1-imine?
The InChIKey is ZWSJFPAPJLTBGZ-YFHOEESVSA-N. The full InChI is InChI=1S/C9H13NO2S/c10-7-1-3-8(4-2-7)13(11,12)9-5-6-9/h1,3,8-10H,2,4-6H2/b10-7-.
What are the key properties of 4-cyclopropylsulfonylcyclohex-2-en-1-imine?
4-cyclopropylsulfonylcyclohex-2-en-1-imine has a molecular weight of 199.28 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropylsulfonylcyclohex-2-en-1-imine is sourced from PubChem (CID 91582958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).