5-methylidene-8-propan-2-yl-1,4-thiazocane

C10H19NS — CID 158612051

IUPAC5-methylidene-8-propan-2-yl-1,4-thiazocane
SMILESC=C1CCC(C(C)C)SCCN1
InChIInChI=1S/C10H19NS/c1-8(2)10-5-4-9(3)11-6-7-12-10/h8,10-11H,3-7H2,1-2H3
InChIKeyYVGGYFAYTGNYLI-UHFFFAOYSA-N
MW185.34 g/mol
LogP2.64
Rot. Bonds1

About 5-methylidene-8-propan-2-yl-1,4-thiazocane

5-methylidene-8-propan-2-yl-1,4-thiazocane (PubChem CID 158612051) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is 5-methylidene-8-propan-2-yl-1,4-thiazocane.

Molecular Properties

Compound Name5-methylidene-8-propan-2-yl-1,4-thiazocane
PubChem CID158612051
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name5-methylidene-8-propan-2-yl-1,4-thiazocane
SMILESC=C1CCC(C(C)C)SCCN1
InChIInChI=1S/C10H19NS/c1-8(2)10-5-4-9(3)11-6-7-12-10/h8,10-11H,3-7H2,1-2H3
InChIKeyYVGGYFAYTGNYLI-UHFFFAOYSA-N
XLogP2.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-Methylidene-6-(2-methylpropyl)-1,4-thiazepane
CID 54444296
6-Methyl-2-methylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrole
CID 132264029
N-(5-methylhexyl)-7-methylsulfinothioylhept-1-en-2-amine
CID 134313945
6-methyl-N-(2-propan-2-ylsulfanylethyl)hept-1-en-2-amine
CID 134398164
6-methyl-N-(2-methylsulfanylethyl)hept-1-en-2-amine
CID 142320055
N-(2-tert-butylsulfanylethyl)-1-(3-methylcyclopentyl)ethenamine
CID 146396041
4-Tert-butyl-2-methylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrole
CID 148648462
5-Methylidene-3-propan-2-yl-2,3,3a,4,6,6a-hexahydrothieno[2,3-b]pyrrole
CID 158881410
2-Methylidene-4-propan-2-yl-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrole
CID 159277970
(3aS,4S,6aR)-4-methyl-2-methylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrole;ethane
CID 160463751
1-methylsulfanyl-4-propan-2-yl-N-prop-1-en-2-ylhexa-4,5-dien-3-amine
CID 169684367
N-[2-[butan-2-yl-di(propan-2-yl)-lambda4-sulfanyl]ethyl]-5-methylhex-1-en-2-amine
CID 169992100

Frequently Asked Questions

What is the IUPAC name of 5-methylidene-8-propan-2-yl-1,4-thiazocane?
The IUPAC name of 5-methylidene-8-propan-2-yl-1,4-thiazocane (CID 158612051) is 5-methylidene-8-propan-2-yl-1,4-thiazocane.
What is the SMILES notation for 5-methylidene-8-propan-2-yl-1,4-thiazocane?
The canonical SMILES for 5-methylidene-8-propan-2-yl-1,4-thiazocane is C=C1CCC(C(C)C)SCCN1.
What is the InChIKey of 5-methylidene-8-propan-2-yl-1,4-thiazocane?
The InChIKey is YVGGYFAYTGNYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c1-8(2)10-5-4-9(3)11-6-7-12-10/h8,10-11H,3-7H2,1-2H3.
What are the key properties of 5-methylidene-8-propan-2-yl-1,4-thiazocane?
5-methylidene-8-propan-2-yl-1,4-thiazocane has a molecular weight of 185.34 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-8-propan-2-yl-1,4-thiazocane is sourced from PubChem (CID 158612051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).