3-cyclohex-3-en-1-ylsulfonylpropan-1-amine

C9H17NO2S — CID 58684559

IUPAC3-cyclohex-3-en-1-ylsulfonylpropan-1-amine
SMILESNCCCS(=O)(=O)C1CC=CCC1
InChIInChI=1S/C9H17NO2S/c10-7-4-8-13(11,12)9-5-2-1-3-6-9/h1-2,9H,3-8,10H2
InChIKeyURZDQUBZRTZAMB-UHFFFAOYSA-N
MW203.31 g/mol
LogP0.86
Rot. Bonds4

About 3-cyclohex-3-en-1-ylsulfonylpropan-1-amine

3-cyclohex-3-en-1-ylsulfonylpropan-1-amine (PubChem CID 58684559) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is 3-cyclohex-3-en-1-ylsulfonylpropan-1-amine.

Molecular Properties

Compound Name3-cyclohex-3-en-1-ylsulfonylpropan-1-amine
PubChem CID58684559
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC Name3-cyclohex-3-en-1-ylsulfonylpropan-1-amine
SMILESNCCCS(=O)(=O)C1CC=CCC1
InChIInChI=1S/C9H17NO2S/c10-7-4-8-13(11,12)9-5-2-1-3-6-9/h1-2,9H,3-8,10H2
InChIKeyURZDQUBZRTZAMB-UHFFFAOYSA-N
XLogP0.86
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Cyclopent-2-en-1-ylsulfinylpropan-1-amine
CID 58684044
2-Cyclopent-2-en-1-ylsulfonylethanamine
CID 58684165
3-Cyclohex-3-en-1-ylsulfanylpropan-1-amine
CID 58684239
2-Cyclohex-3-en-1-ylsulfinylethanamine
CID 58684372
2-[(E)-pent-3-enyl]sulfonylethanamine
CID 58684437
3-Cyclopent-2-en-1-ylsulfonylpropan-1-amine
CID 58684489
2-Cyclopent-3-en-1-ylsulfonylethanamine
CID 58684514
2-Cyclohex-3-en-1-ylsulfonylethanamine
CID 58684735
3-Cyclohex-2-en-1-ylsulfanylpropan-1-amine
CID 58684758
2-Cyclohex-2-en-1-ylsulfinylethanamine
CID 58684762
3-Cyclopent-3-en-1-ylsulfinylpropan-1-amine
CID 58684845
3-[(E)-pent-3-enyl]sulfonylpropan-1-amine
CID 58684847

Frequently Asked Questions

What is the IUPAC name of 3-cyclohex-3-en-1-ylsulfonylpropan-1-amine?
The IUPAC name of 3-cyclohex-3-en-1-ylsulfonylpropan-1-amine (CID 58684559) is 3-cyclohex-3-en-1-ylsulfonylpropan-1-amine.
What is the SMILES notation for 3-cyclohex-3-en-1-ylsulfonylpropan-1-amine?
The canonical SMILES for 3-cyclohex-3-en-1-ylsulfonylpropan-1-amine is NCCCS(=O)(=O)C1CC=CCC1.
What is the InChIKey of 3-cyclohex-3-en-1-ylsulfonylpropan-1-amine?
The InChIKey is URZDQUBZRTZAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c10-7-4-8-13(11,12)9-5-2-1-3-6-9/h1-2,9H,3-8,10H2.
What are the key properties of 3-cyclohex-3-en-1-ylsulfonylpropan-1-amine?
3-cyclohex-3-en-1-ylsulfonylpropan-1-amine has a molecular weight of 203.31 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohex-3-en-1-ylsulfonylpropan-1-amine is sourced from PubChem (CID 58684559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).