ethane;(5Z,7Z)-2-methyl-7-(3-methylbutyl)-4-methylidene-2,3-dihydro-1,3-thiazocine

C15H27NS — CID 143707859

IUPACethane;(5Z,7Z)-2-methyl-7-(3-methylbutyl)-4-methylidene-2,3-dihydro-1,3-thiazocine
SMILESC=C1/C=C\C(CCC(C)C)=C/SC(C)N1.CC
InChIInChI=1S/C13H21NS.C2H6/c1-10(2)5-7-13-8-6-11(3)14-12(4)15-9-13;1-2/h6,8-10,12,14H,3,5,7H2,1-2,4H3;1-2H3/b8-6-,13-9-;
InChIKeyZCGAAUNQELJICU-DUMYNNKISA-N
MW253.46 g/mol
LogP5.09
Rot. Bonds3

About ethane;(5Z,7Z)-2-methyl-7-(3-methylbutyl)-4-methylidene-2,3-dihydro-1,3-thiazocine

ethane;(5Z,7Z)-2-methyl-7-(3-methylbutyl)-4-methylidene-2,3-dihydro-1,3-thiazocine (PubChem CID 143707859) has the molecular formula C15H27NS and a molecular weight of 253.46 g/mol. Its IUPAC name is ethane;(5Z,7Z)-2-methyl-7-(3-methylbutyl)-4-methylidene-2,3-dihydro-1,3-thiazocine.

Molecular Properties

Compound Nameethane;(5Z,7Z)-2-methyl-7-(3-methylbutyl)-4-methylidene-2,3-dihydro-1,3-thiazocine
PubChem CID143707859
Molecular FormulaC15H27NS
Molecular Weight253.46 g/mol
Exact Mass253.19
IUPAC Nameethane;(5Z,7Z)-2-methyl-7-(3-methylbutyl)-4-methylidene-2,3-dihydro-1,3-thiazocine
SMILESC=C1/C=C\C(CCC(C)C)=C/SC(C)N1.CC
InChIInChI=1S/C13H21NS.C2H6/c1-10(2)5-7-13-8-6-11(3)14-12(4)15-9-13;1-2/h6,8-10,12,14H,3,5,7H2,1-2,4H3;1-2H3/b8-6-,13-9-;
InChIKeyZCGAAUNQELJICU-DUMYNNKISA-N
XLogP5.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.46
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethane;(5Z,7Z)-2-methyl-7-(3-methylbutyl)-4-methylidene-2,3-dihydro-1,3-thiazocine 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

2-methyl-4-[(1E,3S,5Z)-2,3,6-trimethylocta-1,5-dienyl]-2,3-dihydro-1,3-thiazole
CID 59084386
(5Z,7Z)-2-methyl-7-(3-methylbutyl)-4-methylidene-2,3-dihydro-1,3-thiazocine
CID 143707860
(3E,5Z)-2-methyl-N-(2-methylsulfanylethyl)hepta-1,3,5-trien-3-amine
CID 168964962

Frequently Asked Questions

What is the IUPAC name of ethane;(5Z,7Z)-2-methyl-7-(3-methylbutyl)-4-methylidene-2,3-dihydro-1,3-thiazocine?
The IUPAC name of ethane;(5Z,7Z)-2-methyl-7-(3-methylbutyl)-4-methylidene-2,3-dihydro-1,3-thiazocine (CID 143707859) is ethane;(5Z,7Z)-2-methyl-7-(3-methylbutyl)-4-methylidene-2,3-dihydro-1,3-thiazocine.
What is the SMILES notation for ethane;(5Z,7Z)-2-methyl-7-(3-methylbutyl)-4-methylidene-2,3-dihydro-1,3-thiazocine?
The canonical SMILES for ethane;(5Z,7Z)-2-methyl-7-(3-methylbutyl)-4-methylidene-2,3-dihydro-1,3-thiazocine is C=C1/C=C\C(CCC(C)C)=C/SC(C)N1.CC.
What is the InChIKey of ethane;(5Z,7Z)-2-methyl-7-(3-methylbutyl)-4-methylidene-2,3-dihydro-1,3-thiazocine?
The InChIKey is ZCGAAUNQELJICU-DUMYNNKISA-N. The full InChI is InChI=1S/C13H21NS.C2H6/c1-10(2)5-7-13-8-6-11(3)14-12(4)15-9-13;1-2/h6,8-10,12,14H,3,5,7H2,1-2,4H3;1-2H3/b8-6-,13-9-;.
What are the key properties of ethane;(5Z,7Z)-2-methyl-7-(3-methylbutyl)-4-methylidene-2,3-dihydro-1,3-thiazocine?
ethane;(5Z,7Z)-2-methyl-7-(3-methylbutyl)-4-methylidene-2,3-dihydro-1,3-thiazocine has a molecular weight of 253.46 g/mol, XLogP of 5.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5Z,7Z)-2-methyl-7-(3-methylbutyl)-4-methylidene-2,3-dihydro-1,3-thiazocine is sourced from PubChem (CID 143707859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).