3-methylidene-1,5-thiazocane

C7H13NS — CID 22946746

IUPAC3-methylidene-1,5-thiazocane
SMILESC=C1CNCCCSC1
InChIInChI=1S/C7H13NS/c1-7-5-8-3-2-4-9-6-7/h8H,1-6H2
InChIKeyOONDYAZWAAFTBQ-UHFFFAOYSA-N
MW143.25 g/mol
LogP1.27
Rot. Bonds

About 3-methylidene-1,5-thiazocane

3-methylidene-1,5-thiazocane (PubChem CID 22946746) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is 3-methylidene-1,5-thiazocane.

Molecular Properties

Compound Name3-methylidene-1,5-thiazocane
PubChem CID22946746
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC Name3-methylidene-1,5-thiazocane
SMILESC=C1CNCCCSC1
InChIInChI=1S/C7H13NS/c1-7-5-8-3-2-4-9-6-7/h8H,1-6H2
InChIKeyOONDYAZWAAFTBQ-UHFFFAOYSA-N
XLogP1.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-(2-methylsulfanylethyl)prop-2-en-1-amine
CID 60695349
3,4,5,6-tetrahydro-1H-thieno[3,4-c]pyrrole
CID 90127785
2-(tert-butylsulfanylmethyl)-N-propylprop-2-en-1-amine
CID 103068168
2-(tert-butylsulfanylmethyl)-N-ethylprop-2-en-1-amine
CID 103068173
N-propyl-2-(propylsulfanylmethyl)prop-2-en-1-amine
CID 103068175
N-ethyl-2-(propylsulfanylmethyl)prop-2-en-1-amine
CID 103068180
2-(butan-2-ylsulfanylmethyl)-N-propylprop-2-en-1-amine
CID 103068182
2-(butan-2-ylsulfanylmethyl)-N-ethylprop-2-en-1-amine
CID 103068187
2-(ethylsulfanylmethyl)-N-propylprop-2-en-1-amine
CID 103068189
2-(ethylsulfanylmethyl)-N-methylprop-2-en-1-amine
CID 103068190
N-ethyl-2-(ethylsulfanylmethyl)prop-2-en-1-amine
CID 103068194
2-(butylsulfanylmethyl)-N-propylprop-2-en-1-amine
CID 103068345

Frequently Asked Questions

What is the IUPAC name of 3-methylidene-1,5-thiazocane?
The IUPAC name of 3-methylidene-1,5-thiazocane (CID 22946746) is 3-methylidene-1,5-thiazocane.
What is the SMILES notation for 3-methylidene-1,5-thiazocane?
The canonical SMILES for 3-methylidene-1,5-thiazocane is C=C1CNCCCSC1.
What is the InChIKey of 3-methylidene-1,5-thiazocane?
The InChIKey is OONDYAZWAAFTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NS/c1-7-5-8-3-2-4-9-6-7/h8H,1-6H2.
What are the key properties of 3-methylidene-1,5-thiazocane?
3-methylidene-1,5-thiazocane has a molecular weight of 143.25 g/mol, XLogP of 1.27, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-1,5-thiazocane is sourced from PubChem (CID 22946746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).