1-[1,3-dimethyl-1-(2,5,6-trimethyl-4-methylsulfanylhept-6-en-3-yl)thiiran-2-yl]-N,2-dimethylpropan-1-amine

C20H41NS2 — CID 174338939

IUPAC1-[1,3-dimethyl-1-(2,5,6-trimethyl-4-methylsulfanylhept-6-en-3-yl)thiiran-2-yl]-N,2-dimethylpropan-1-amine
SMILESC=C(C)C(C)C(SC)C(C(C)C)S1(C)C(C)C1C(NC)C(C)C
InChIInChI=1S/C20H41NS2/c1-12(2)15(7)18(22-10)19(14(5)6)23(11)16(8)20(23)17(21-9)13(3)4/h13-21H,1H2,2-11H3
InChIKeyJOZXGSYUBMALQG-UHFFFAOYSA-N
MW359.69 g/mol
LogP5.40
Rot. Bonds9

About 1-[1,3-dimethyl-1-(2,5,6-trimethyl-4-methylsulfanylhept-6-en-3-yl)thiiran-2-yl]-N,2-dimethylpropan-1-amine

1-[1,3-dimethyl-1-(2,5,6-trimethyl-4-methylsulfanylhept-6-en-3-yl)thiiran-2-yl]-N,2-dimethylpropan-1-amine (PubChem CID 174338939) has the molecular formula C20H41NS2 and a molecular weight of 359.69 g/mol. Its IUPAC name is 1-[1,3-dimethyl-1-(2,5,6-trimethyl-4-methylsulfanylhept-6-en-3-yl)thiiran-2-yl]-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-[1,3-dimethyl-1-(2,5,6-trimethyl-4-methylsulfanylhept-6-en-3-yl)thiiran-2-yl]-N,2-dimethylpropan-1-amine
PubChem CID174338939
Molecular FormulaC20H41NS2
Molecular Weight359.69 g/mol
Exact Mass359.27
IUPAC Name1-[1,3-dimethyl-1-(2,5,6-trimethyl-4-methylsulfanylhept-6-en-3-yl)thiiran-2-yl]-N,2-dimethylpropan-1-amine
SMILESC=C(C)C(C)C(SC)C(C(C)C)S1(C)C(C)C1C(NC)C(C)C
InChIInChI=1S/C20H41NS2/c1-12(2)15(7)18(22-10)19(14(5)6)23(11)16(8)20(23)17(21-9)13(3)4/h13-21H,1H2,2-11H3
InChIKeyJOZXGSYUBMALQG-UHFFFAOYSA-N
XLogP5.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.69
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[1,3-dimethyl-1-(2,5,6-trimethyl-4-methylsulfanylhept-6-en-3-yl)thiiran-2-yl]-N,2-dimethylpropan-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 1-[1,3-dimethyl-1-(2,5,6-trimethyl-4-methylsulfanylhept-6-en-3-yl)thiiran-2-yl]-N,2-dimethylpropan-1-amine?
The IUPAC name of 1-[1,3-dimethyl-1-(2,5,6-trimethyl-4-methylsulfanylhept-6-en-3-yl)thiiran-2-yl]-N,2-dimethylpropan-1-amine (CID 174338939) is 1-[1,3-dimethyl-1-(2,5,6-trimethyl-4-methylsulfanylhept-6-en-3-yl)thiiran-2-yl]-N,2-dimethylpropan-1-amine.
What is the SMILES notation for 1-[1,3-dimethyl-1-(2,5,6-trimethyl-4-methylsulfanylhept-6-en-3-yl)thiiran-2-yl]-N,2-dimethylpropan-1-amine?
The canonical SMILES for 1-[1,3-dimethyl-1-(2,5,6-trimethyl-4-methylsulfanylhept-6-en-3-yl)thiiran-2-yl]-N,2-dimethylpropan-1-amine is C=C(C)C(C)C(SC)C(C(C)C)S1(C)C(C)C1C(NC)C(C)C.
What is the InChIKey of 1-[1,3-dimethyl-1-(2,5,6-trimethyl-4-methylsulfanylhept-6-en-3-yl)thiiran-2-yl]-N,2-dimethylpropan-1-amine?
The InChIKey is JOZXGSYUBMALQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41NS2/c1-12(2)15(7)18(22-10)19(14(5)6)23(11)16(8)20(23)17(21-9)13(3)4/h13-21H,1H2,2-11H3.
What are the key properties of 1-[1,3-dimethyl-1-(2,5,6-trimethyl-4-methylsulfanylhept-6-en-3-yl)thiiran-2-yl]-N,2-dimethylpropan-1-amine?
1-[1,3-dimethyl-1-(2,5,6-trimethyl-4-methylsulfanylhept-6-en-3-yl)thiiran-2-yl]-N,2-dimethylpropan-1-amine has a molecular weight of 359.69 g/mol, XLogP of 5.40, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,3-dimethyl-1-(2,5,6-trimethyl-4-methylsulfanylhept-6-en-3-yl)thiiran-2-yl]-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 174338939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).