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

C13H21NS — CID 143707860

IUPAC(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
InChIInChI=1S/C13H21NS/c1-10(2)5-7-13-8-6-11(3)14-12(4)15-9-13/h6,8-10,12,14H,3,5,7H2,1-2,4H3/b8-6-,13-9-
InChIKeyROALNXNTHSAIHQ-OBICBMLSSA-N
MW223.38 g/mol
LogP4.06
Rot. Bonds3

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

(5Z,7Z)-2-methyl-7-(3-methylbutyl)-4-methylidene-2,3-dihydro-1,3-thiazocine (PubChem CID 143707860) has the molecular formula C13H21NS and a molecular weight of 223.38 g/mol. Its IUPAC name is (5Z,7Z)-2-methyl-7-(3-methylbutyl)-4-methylidene-2,3-dihydro-1,3-thiazocine.

Molecular Properties

Compound Name(5Z,7Z)-2-methyl-7-(3-methylbutyl)-4-methylidene-2,3-dihydro-1,3-thiazocine
PubChem CID143707860
Molecular FormulaC13H21NS
Molecular Weight223.38 g/mol
Exact Mass223.14
IUPAC Name(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
InChIInChI=1S/C13H21NS/c1-10(2)5-7-13-8-6-11(3)14-12(4)15-9-13/h6,8-10,12,14H,3,5,7H2,1-2,4H3/b8-6-,13-9-
InChIKeyROALNXNTHSAIHQ-OBICBMLSSA-N
XLogP4.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.38
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-4-[(1E,3S,5Z)-2,3,6-trimethylocta-1,5-dienyl]-2,3-dihydro-1,3-thiazole
CID 59084386
ethane;(5Z,7Z)-2-methyl-7-(3-methylbutyl)-4-methylidene-2,3-dihydro-1,3-thiazocine
CID 143707859
(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 (5Z,7Z)-2-methyl-7-(3-methylbutyl)-4-methylidene-2,3-dihydro-1,3-thiazocine?
The IUPAC name of (5Z,7Z)-2-methyl-7-(3-methylbutyl)-4-methylidene-2,3-dihydro-1,3-thiazocine (CID 143707860) is (5Z,7Z)-2-methyl-7-(3-methylbutyl)-4-methylidene-2,3-dihydro-1,3-thiazocine.
What is the SMILES notation for (5Z,7Z)-2-methyl-7-(3-methylbutyl)-4-methylidene-2,3-dihydro-1,3-thiazocine?
The canonical SMILES for (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.
What is the InChIKey of (5Z,7Z)-2-methyl-7-(3-methylbutyl)-4-methylidene-2,3-dihydro-1,3-thiazocine?
The InChIKey is ROALNXNTHSAIHQ-OBICBMLSSA-N. The full InChI is InChI=1S/C13H21NS/c1-10(2)5-7-13-8-6-11(3)14-12(4)15-9-13/h6,8-10,12,14H,3,5,7H2,1-2,4H3/b8-6-,13-9-.
What are the key properties of (5Z,7Z)-2-methyl-7-(3-methylbutyl)-4-methylidene-2,3-dihydro-1,3-thiazocine?
(5Z,7Z)-2-methyl-7-(3-methylbutyl)-4-methylidene-2,3-dihydro-1,3-thiazocine has a molecular weight of 223.38 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,7Z)-2-methyl-7-(3-methylbutyl)-4-methylidene-2,3-dihydro-1,3-thiazocine is sourced from PubChem (CID 143707860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).