N-ethyl-7-ethylsulfonylhept-1-en-4-amine

C11H23NO2S — CID 116660795

IUPACN-ethyl-7-ethylsulfonylhept-1-en-4-amine
SMILESC=CCC(CCCS(=O)(=O)CC)NCC
InChIInChI=1S/C11H23NO2S/c1-4-8-11(12-5-2)9-7-10-15(13,14)6-3/h4,11-12H,1,5-10H2,2-3H3
InChIKeyAZWKIWNZURHUAW-UHFFFAOYSA-N
MW233.38 g/mol
LogP1.76
Rot. Bonds9

About N-ethyl-7-ethylsulfonylhept-1-en-4-amine

N-ethyl-7-ethylsulfonylhept-1-en-4-amine (PubChem CID 116660795) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is N-ethyl-7-ethylsulfonylhept-1-en-4-amine.

Molecular Properties

Compound NameN-ethyl-7-ethylsulfonylhept-1-en-4-amine
PubChem CID116660795
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC NameN-ethyl-7-ethylsulfonylhept-1-en-4-amine
SMILESC=CCC(CCCS(=O)(=O)CC)NCC
InChIInChI=1S/C11H23NO2S/c1-4-8-11(12-5-2)9-7-10-15(13,14)6-3/h4,11-12H,1,5-10H2,2-3H3
InChIKeyAZWKIWNZURHUAW-UHFFFAOYSA-N
XLogP1.76
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 51.76
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

N-ethyl-1-ethylsulfonyldecan-4-amine
CID 115865211
N-ethyl-1-methylsulfonylnonan-4-amine
CID 115820293
N-ethyl-5-ethylsulfonyl-1-(2-methoxyethoxy)pentan-2-amine
CID 114032839
N-ethyl-1-methylsulfonyldodecan-4-amine
CID 115820985
N-ethyl-6-ethylsulfonyl-1-(furan-2-yl)hexan-3-amine
CID 105152508
1-cyclobutyl-N-ethyl-5-methylsulfonylpentan-2-amine
CID 103168351
N-ethyl-1,1,1-trifluoro-6-methylsulfonylhexan-3-amine
CID 63192586
1-ethoxy-N-ethyl-7-methylsulfonylheptan-4-amine
CID 105112924
N-ethyl-6-ethylsulfonyl-1-(oxolan-2-yl)hexan-3-amine
CID 115865230
N-ethyl-1-ethylsulfonyl-7-thiophen-2-ylheptan-4-amine
CID 105152716
N-ethyl-1-methylsulfonylhex-5-en-2-amine
CID 115631216
5-ethylsulfonyl-1-methylsulfonyl-N-propylpentan-2-amine
CID 115646739

Frequently Asked Questions

What is the IUPAC name of N-ethyl-7-ethylsulfonylhept-1-en-4-amine?
The IUPAC name of N-ethyl-7-ethylsulfonylhept-1-en-4-amine (CID 116660795) is N-ethyl-7-ethylsulfonylhept-1-en-4-amine.
What is the SMILES notation for N-ethyl-7-ethylsulfonylhept-1-en-4-amine?
The canonical SMILES for N-ethyl-7-ethylsulfonylhept-1-en-4-amine is C=CCC(CCCS(=O)(=O)CC)NCC.
What is the InChIKey of N-ethyl-7-ethylsulfonylhept-1-en-4-amine?
The InChIKey is AZWKIWNZURHUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-4-8-11(12-5-2)9-7-10-15(13,14)6-3/h4,11-12H,1,5-10H2,2-3H3.
What are the key properties of N-ethyl-7-ethylsulfonylhept-1-en-4-amine?
N-ethyl-7-ethylsulfonylhept-1-en-4-amine has a molecular weight of 233.38 g/mol, XLogP of 1.76, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-7-ethylsulfonylhept-1-en-4-amine is sourced from PubChem (CID 116660795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).