7-ethylsulfonyl-4-methylhept-3-en-1-amine

C10H21NO2S — CID 79591539

IUPAC7-ethylsulfonyl-4-methylhept-3-en-1-amine
SMILESCCS(=O)(=O)CCCC(C)=CCCN
InChIInChI=1S/C10H21NO2S/c1-3-14(12,13)9-5-7-10(2)6-4-8-11/h6H,3-5,7-9,11H2,1-2H3
InChIKeyHEDYSMHQAISYQQ-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.50
Rot. Bonds7

About 7-ethylsulfonyl-4-methylhept-3-en-1-amine

7-ethylsulfonyl-4-methylhept-3-en-1-amine (PubChem CID 79591539) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is 7-ethylsulfonyl-4-methylhept-3-en-1-amine.

Molecular Properties

Compound Name7-ethylsulfonyl-4-methylhept-3-en-1-amine
PubChem CID79591539
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name7-ethylsulfonyl-4-methylhept-3-en-1-amine
SMILESCCS(=O)(=O)CCCC(C)=CCCN
InChIInChI=1S/C10H21NO2S/c1-3-14(12,13)9-5-7-10(2)6-4-8-11/h6H,3-5,7-9,11H2,1-2H3
InChIKeyHEDYSMHQAISYQQ-UHFFFAOYSA-N
XLogP1.50
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.50
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 7-ethylsulfonyl-4-methylhept-3-en-1-amine?
The IUPAC name of 7-ethylsulfonyl-4-methylhept-3-en-1-amine (CID 79591539) is 7-ethylsulfonyl-4-methylhept-3-en-1-amine.
What is the SMILES notation for 7-ethylsulfonyl-4-methylhept-3-en-1-amine?
The canonical SMILES for 7-ethylsulfonyl-4-methylhept-3-en-1-amine is CCS(=O)(=O)CCCC(C)=CCCN.
What is the InChIKey of 7-ethylsulfonyl-4-methylhept-3-en-1-amine?
The InChIKey is HEDYSMHQAISYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-3-14(12,13)9-5-7-10(2)6-4-8-11/h6H,3-5,7-9,11H2,1-2H3.
What are the key properties of 7-ethylsulfonyl-4-methylhept-3-en-1-amine?
7-ethylsulfonyl-4-methylhept-3-en-1-amine has a molecular weight of 219.35 g/mol, XLogP of 1.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethylsulfonyl-4-methylhept-3-en-1-amine is sourced from PubChem (CID 79591539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).