(Z)-7-methylsulfonyldec-3-en-1-amine

C11H23NO2S — CID 163707487

IUPAC(Z)-7-methylsulfonyldec-3-en-1-amine
SMILESCCCC(CC/C=C\CCN)S(C)(=O)=O
InChIInChI=1S/C11H23NO2S/c1-3-8-11(15(2,13)14)9-6-4-5-7-10-12/h4-5,11H,3,6-10,12H2,1-2H3/b5-4-
InChIKeyKGHZCHCTJHFPHE-PLNGDYQASA-N
MW233.38 g/mol
LogP1.88
Rot. Bonds8

About (Z)-7-methylsulfonyldec-3-en-1-amine

(Z)-7-methylsulfonyldec-3-en-1-amine (PubChem CID 163707487) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is (Z)-7-methylsulfonyldec-3-en-1-amine.

Molecular Properties

Compound Name(Z)-7-methylsulfonyldec-3-en-1-amine
PubChem CID163707487
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name(Z)-7-methylsulfonyldec-3-en-1-amine
SMILESCCCC(CC/C=C\CCN)S(C)(=O)=O
InChIInChI=1S/C11H23NO2S/c1-3-8-11(15(2,13)14)9-6-4-5-7-10-12/h4-5,11H,3,6-10,12H2,1-2H3/b5-4-
InChIKeyKGHZCHCTJHFPHE-PLNGDYQASA-N
XLogP1.88
TPSA60.16 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 ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (Z)-7-methylsulfonyldec-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

Frequently Asked Questions

What is the IUPAC name of (Z)-7-methylsulfonyldec-3-en-1-amine?
The IUPAC name of (Z)-7-methylsulfonyldec-3-en-1-amine (CID 163707487) is (Z)-7-methylsulfonyldec-3-en-1-amine.
What is the SMILES notation for (Z)-7-methylsulfonyldec-3-en-1-amine?
The canonical SMILES for (Z)-7-methylsulfonyldec-3-en-1-amine is CCCC(CC/C=C\CCN)S(C)(=O)=O.
What is the InChIKey of (Z)-7-methylsulfonyldec-3-en-1-amine?
The InChIKey is KGHZCHCTJHFPHE-PLNGDYQASA-N. The full InChI is InChI=1S/C11H23NO2S/c1-3-8-11(15(2,13)14)9-6-4-5-7-10-12/h4-5,11H,3,6-10,12H2,1-2H3/b5-4-.
What are the key properties of (Z)-7-methylsulfonyldec-3-en-1-amine?
(Z)-7-methylsulfonyldec-3-en-1-amine has a molecular weight of 233.38 g/mol, XLogP of 1.88, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-methylsulfonyldec-3-en-1-amine is sourced from PubChem (CID 163707487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).