3-cyclohex-2-en-1-ylsulfonylpropan-1-amine

C9H17NO2S — CID 58684861

IUPAC3-cyclohex-2-en-1-ylsulfonylpropan-1-amine
SMILESNCCCS(=O)(=O)C1C=CCCC1
InChIInChI=1S/C9H17NO2S/c10-7-4-8-13(11,12)9-5-2-1-3-6-9/h2,5,9H,1,3-4,6-8,10H2
InChIKeyRFHUJMRIPRVSKI-UHFFFAOYSA-N
MW203.31 g/mol
LogP0.86
Rot. Bonds4

About 3-cyclohex-2-en-1-ylsulfonylpropan-1-amine

3-cyclohex-2-en-1-ylsulfonylpropan-1-amine (PubChem CID 58684861) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is 3-cyclohex-2-en-1-ylsulfonylpropan-1-amine.

Molecular Properties

Compound Name3-cyclohex-2-en-1-ylsulfonylpropan-1-amine
PubChem CID58684861
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC Name3-cyclohex-2-en-1-ylsulfonylpropan-1-amine
SMILESNCCCS(=O)(=O)C1C=CCCC1
InChIInChI=1S/C9H17NO2S/c10-7-4-8-13(11,12)9-5-2-1-3-6-9/h2,5,9H,1,3-4,6-8,10H2
InChIKeyRFHUJMRIPRVSKI-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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Frequently Asked Questions

What is the IUPAC name of 3-cyclohex-2-en-1-ylsulfonylpropan-1-amine?
The IUPAC name of 3-cyclohex-2-en-1-ylsulfonylpropan-1-amine (CID 58684861) is 3-cyclohex-2-en-1-ylsulfonylpropan-1-amine.
What is the SMILES notation for 3-cyclohex-2-en-1-ylsulfonylpropan-1-amine?
The canonical SMILES for 3-cyclohex-2-en-1-ylsulfonylpropan-1-amine is NCCCS(=O)(=O)C1C=CCCC1.
What is the InChIKey of 3-cyclohex-2-en-1-ylsulfonylpropan-1-amine?
The InChIKey is RFHUJMRIPRVSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c10-7-4-8-13(11,12)9-5-2-1-3-6-9/h2,5,9H,1,3-4,6-8,10H2.
What are the key properties of 3-cyclohex-2-en-1-ylsulfonylpropan-1-amine?
3-cyclohex-2-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-2-en-1-ylsulfonylpropan-1-amine is sourced from PubChem (CID 58684861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).