N-ethyl-2-methyl-2-methylsulfonylhept-6-en-3-amine

C11H23NO2S — CID 104987354

IUPACN-ethyl-2-methyl-2-methylsulfonylhept-6-en-3-amine
SMILESC=CCCC(NCC)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C11H23NO2S/c1-6-8-9-10(12-7-2)11(3,4)15(5,13)14/h6,10,12H,1,7-9H2,2-5H3
InChIKeySVEYBJBKLDFYTR-UHFFFAOYSA-N
MW233.38 g/mol
LogP1.75
Rot. Bonds7

About N-ethyl-2-methyl-2-methylsulfonylhept-6-en-3-amine

N-ethyl-2-methyl-2-methylsulfonylhept-6-en-3-amine (PubChem CID 104987354) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is N-ethyl-2-methyl-2-methylsulfonylhept-6-en-3-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-2-methylsulfonylhept-6-en-3-amine
PubChem CID104987354
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC NameN-ethyl-2-methyl-2-methylsulfonylhept-6-en-3-amine
SMILESC=CCCC(NCC)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C11H23NO2S/c1-6-8-9-10(12-7-2)11(3,4)15(5,13)14/h6,10,12H,1,7-9H2,2-5H3
InChIKeySVEYBJBKLDFYTR-UHFFFAOYSA-N
XLogP1.75
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 51.75
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-methylsulfonylhex-5-en-2-amine
CID 115631216
3-ethoxy-N,3-diethyloct-7-en-4-amine
CID 116760221
1-tert-butylsulfanyl-N-ethylhept-6-en-2-amine
CID 65133114
1-(3,5-dimethylphenyl)-N-ethyl-3-methyl-3-methylsulfonylbutan-2-amine
CID 115800160
2-ethoxy-N-ethyl-2-methyldec-9-en-3-amine
CID 107009714
N-ethyl-2,4-dimethyl-2-methylsulfonylhexan-3-amine
CID 105017343
N,3,3-trimethyloct-7-en-4-amine
CID 104987331
N-ethyl-4,4-dimethyl-1-methylsulfonylpentan-3-amine
CID 62599846
N-ethyl-2,4-dimethyl-2-methylsulfonylpentan-3-amine
CID 114978377
N-ethyl-2,4-dimethyl-4-methylsulfonylpent-1-en-3-amine
CID 105005182
N-ethyl-2-methyl-2-pyrrolidin-1-yloct-7-en-3-amine
CID 79056072
N-ethyltridec-1-en-5-amine
CID 104987742

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-2-methylsulfonylhept-6-en-3-amine?
The IUPAC name of N-ethyl-2-methyl-2-methylsulfonylhept-6-en-3-amine (CID 104987354) is N-ethyl-2-methyl-2-methylsulfonylhept-6-en-3-amine.
What is the SMILES notation for N-ethyl-2-methyl-2-methylsulfonylhept-6-en-3-amine?
The canonical SMILES for N-ethyl-2-methyl-2-methylsulfonylhept-6-en-3-amine is C=CCCC(NCC)C(C)(C)S(C)(=O)=O.
What is the InChIKey of N-ethyl-2-methyl-2-methylsulfonylhept-6-en-3-amine?
The InChIKey is SVEYBJBKLDFYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-6-8-9-10(12-7-2)11(3,4)15(5,13)14/h6,10,12H,1,7-9H2,2-5H3.
What are the key properties of N-ethyl-2-methyl-2-methylsulfonylhept-6-en-3-amine?
N-ethyl-2-methyl-2-methylsulfonylhept-6-en-3-amine has a molecular weight of 233.38 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-2-methylsulfonylhept-6-en-3-amine is sourced from PubChem (CID 104987354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).