N-ethyl-4-methyl-7-methylsulfonylhept-3-en-1-amine

C11H23NO2S — CID 79598076

IUPACN-ethyl-4-methyl-7-methylsulfonylhept-3-en-1-amine
SMILESCCNCCC=C(C)CCCS(C)(=O)=O
InChIInChI=1S/C11H23NO2S/c1-4-12-9-5-7-11(2)8-6-10-15(3,13)14/h7,12H,4-6,8-10H2,1-3H3
InChIKeyPGOAWTDCLRZEHM-UHFFFAOYSA-N
MW233.38 g/mol
LogP1.76
Rot. Bonds8

About N-ethyl-4-methyl-7-methylsulfonylhept-3-en-1-amine

N-ethyl-4-methyl-7-methylsulfonylhept-3-en-1-amine (PubChem CID 79598076) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is N-ethyl-4-methyl-7-methylsulfonylhept-3-en-1-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-7-methylsulfonylhept-3-en-1-amine
PubChem CID79598076
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC NameN-ethyl-4-methyl-7-methylsulfonylhept-3-en-1-amine
SMILESCCNCCC=C(C)CCCS(C)(=O)=O
InChIInChI=1S/C11H23NO2S/c1-4-12-9-5-7-11(2)8-6-10-15(3,13)14/h7,12H,4-6,8-10H2,1-3H3
InChIKeyPGOAWTDCLRZEHM-UHFFFAOYSA-N
XLogP1.76
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-ethyl-4-methyl-7-methylsulfonylhept-3-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-7-methylsulfonyl-N-propylhept-3-en-1-amine
CID 79599261
4-methyl-N-(2-methylpropyl)-7-methylsulfonylhept-3-en-1-amine
CID 79607990
7-ethylsulfonyl-N-(2-methoxyethyl)-4-methylhept-3-en-1-amine
CID 79607149
N-(2-methoxyethyl)-4-methyl-6-methylsulfonylhex-3-en-1-amine
CID 79607920
N-ethyl-4-methylocta-3,7-dien-1-amine
CID 79599857
N-ethyl-N',3-dimethylhex-3-ene-1,6-diamine
CID 91413458
4-methyl-N-propylnon-3-en-1-amine
CID 79597954
4-methyl-N-propylundec-3-en-1-amine
CID 79597955
N-ethyl-2-(3-methylsulfonylpropoxy)ethanamine
CID 63191293
N-ethyl-4-methyl-6-thiophen-2-ylhex-3-en-1-amine
CID 79598190
1-(ethylamino)-2-methyl-6-methylsulfonylhexan-3-one
CID 116565200
5-cyclobutyl-N-ethyl-4-methylpent-3-en-1-amine
CID 79598587

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-7-methylsulfonylhept-3-en-1-amine?
The IUPAC name of N-ethyl-4-methyl-7-methylsulfonylhept-3-en-1-amine (CID 79598076) is N-ethyl-4-methyl-7-methylsulfonylhept-3-en-1-amine.
What is the SMILES notation for N-ethyl-4-methyl-7-methylsulfonylhept-3-en-1-amine?
The canonical SMILES for N-ethyl-4-methyl-7-methylsulfonylhept-3-en-1-amine is CCNCCC=C(C)CCCS(C)(=O)=O.
What is the InChIKey of N-ethyl-4-methyl-7-methylsulfonylhept-3-en-1-amine?
The InChIKey is PGOAWTDCLRZEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-4-12-9-5-7-11(2)8-6-10-15(3,13)14/h7,12H,4-6,8-10H2,1-3H3.
What are the key properties of N-ethyl-4-methyl-7-methylsulfonylhept-3-en-1-amine?
N-ethyl-4-methyl-7-methylsulfonylhept-3-en-1-amine has a molecular weight of 233.38 g/mol, XLogP of 1.76, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-7-methylsulfonylhept-3-en-1-amine is sourced from PubChem (CID 79598076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).