7-ethylsulfonylhept-3-en-1-amine

C9H19NO2S — CID 79592026

IUPAC7-ethylsulfonylhept-3-en-1-amine
SMILESCCS(=O)(=O)CCCC=CCCN
InChIInChI=1S/C9H19NO2S/c1-2-13(11,12)9-7-5-3-4-6-8-10/h3-4H,2,5-10H2,1H3
InChIKeyUQPJXYQUHADRIJ-UHFFFAOYSA-N
MW205.32 g/mol
LogP1.11
Rot. Bonds7

About 7-ethylsulfonylhept-3-en-1-amine

7-ethylsulfonylhept-3-en-1-amine (PubChem CID 79592026) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 7-ethylsulfonylhept-3-en-1-amine.

Molecular Properties

Compound Name7-ethylsulfonylhept-3-en-1-amine
PubChem CID79592026
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name7-ethylsulfonylhept-3-en-1-amine
SMILESCCS(=O)(=O)CCCC=CCCN
InChIInChI=1S/C9H19NO2S/c1-2-13(11,12)9-7-5-3-4-6-8-10/h3-4H,2,5-10H2,1H3
InChIKeyUQPJXYQUHADRIJ-UHFFFAOYSA-N
XLogP1.11
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-7-ethylsulfonylhept-3-ene
CID 89382151
7-ethylsulfonyl-N-propylhept-3-en-1-amine
CID 79591067
5-ethylsulfonylpentan-1-amine
CID 54172156
3-[(E)-pent-3-enyl]sulfonylpropan-1-amine
CID 58684847
1,6-bis(ethylsulfonyl)hexane
CID 54565943
1,8-bis(ethylsulfonyl)octane
CID 19033553
1,5-bis(ethylsulfonyl)pentane
CID 5250018
3-butylsulfonylpropan-1-amine
CID 43615632
3-[(E)-but-2-enyl]sulfonylpropan-1-amine
CID 58684292
3-ethylsulfonylpropane-1-sulfonyl chloride
CID 65094375
6-ethylsulfonylhexanal
CID 65097360
8,8-difluorooct-3-en-1-amine
CID 90786010

Frequently Asked Questions

What is the IUPAC name of 7-ethylsulfonylhept-3-en-1-amine?
The IUPAC name of 7-ethylsulfonylhept-3-en-1-amine (CID 79592026) is 7-ethylsulfonylhept-3-en-1-amine.
What is the SMILES notation for 7-ethylsulfonylhept-3-en-1-amine?
The canonical SMILES for 7-ethylsulfonylhept-3-en-1-amine is CCS(=O)(=O)CCCC=CCCN.
What is the InChIKey of 7-ethylsulfonylhept-3-en-1-amine?
The InChIKey is UQPJXYQUHADRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-2-13(11,12)9-7-5-3-4-6-8-10/h3-4H,2,5-10H2,1H3.
What are the key properties of 7-ethylsulfonylhept-3-en-1-amine?
7-ethylsulfonylhept-3-en-1-amine has a molecular weight of 205.32 g/mol, XLogP of 1.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethylsulfonylhept-3-en-1-amine is sourced from PubChem (CID 79592026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).