N-ethyl-2,4-dimethyl-4-methylsulfonylpent-1-en-3-amine

C10H21NO2S — CID 105005182

IUPACN-ethyl-2,4-dimethyl-4-methylsulfonylpent-1-en-3-amine
SMILESC=C(C)C(NCC)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C10H21NO2S/c1-7-11-9(8(2)3)10(4,5)14(6,12)13/h9,11H,2,7H2,1,3-6H3
InChIKeyRFQHXERYBFZIPW-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.36
Rot. Bonds5

About N-ethyl-2,4-dimethyl-4-methylsulfonylpent-1-en-3-amine

N-ethyl-2,4-dimethyl-4-methylsulfonylpent-1-en-3-amine (PubChem CID 105005182) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is N-ethyl-2,4-dimethyl-4-methylsulfonylpent-1-en-3-amine.

Molecular Properties

Compound NameN-ethyl-2,4-dimethyl-4-methylsulfonylpent-1-en-3-amine
PubChem CID105005182
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC NameN-ethyl-2,4-dimethyl-4-methylsulfonylpent-1-en-3-amine
SMILESC=C(C)C(NCC)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C10H21NO2S/c1-7-11-9(8(2)3)10(4,5)14(6,12)13/h9,11H,2,7H2,1,3-6H3
InChIKeyRFQHXERYBFZIPW-UHFFFAOYSA-N
XLogP1.36
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.36
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-2,4-dimethyl-2-methylsulfonylpentan-3-amine
CID 114978377
N-ethyl-2,4-dimethyl-2-methylsulfonylhexan-3-amine
CID 105017343
N-ethyl-2,4-dimethyl-4-piperidin-1-ylhex-1-en-3-amine
CID 79179721
N,4-diethyl-2-methyl-4-pyrrolidin-1-ylhex-1-en-3-amine
CID 79179723
N-ethyl-5-methyl-1-methylsulfonylhex-5-en-2-amine
CID 105039511
N-ethyl-2-methyl-2-methylsulfonylhept-6-en-3-amine
CID 104987354
N,2,6-trimethyl-2-methylsulfonylhept-6-en-3-amine
CID 105039485
(2S)-N-ethyl-3-methylbut-3-en-2-amine
CID 89198318
(2R)-2-hydrazinyl-3-methyl-3-methylsulfonylbutanoic acid
CID 142626015
N-ethyl-2,5,7-trimethyl-2-methylsulfonyloctan-3-amine
CID 114201731
1-(3,5-dimethylphenyl)-N-ethyl-3-methyl-3-methylsulfonylbutan-2-amine
CID 115800160
4-ethyl-2-methyl-2-methylsulfonylhexan-3-ol
CID 115821815

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,4-dimethyl-4-methylsulfonylpent-1-en-3-amine?
The IUPAC name of N-ethyl-2,4-dimethyl-4-methylsulfonylpent-1-en-3-amine (CID 105005182) is N-ethyl-2,4-dimethyl-4-methylsulfonylpent-1-en-3-amine.
What is the SMILES notation for N-ethyl-2,4-dimethyl-4-methylsulfonylpent-1-en-3-amine?
The canonical SMILES for N-ethyl-2,4-dimethyl-4-methylsulfonylpent-1-en-3-amine is C=C(C)C(NCC)C(C)(C)S(C)(=O)=O.
What is the InChIKey of N-ethyl-2,4-dimethyl-4-methylsulfonylpent-1-en-3-amine?
The InChIKey is RFQHXERYBFZIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-7-11-9(8(2)3)10(4,5)14(6,12)13/h9,11H,2,7H2,1,3-6H3.
What are the key properties of N-ethyl-2,4-dimethyl-4-methylsulfonylpent-1-en-3-amine?
N-ethyl-2,4-dimethyl-4-methylsulfonylpent-1-en-3-amine has a molecular weight of 219.35 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,4-dimethyl-4-methylsulfonylpent-1-en-3-amine is sourced from PubChem (CID 105005182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).