5-methylidene-1,4-thiazepane

C6H11NS — CID 142847544

IUPAC5-methylidene-1,4-thiazepane
SMILESC=C1CCSCCN1
InChIInChI=1S/C6H11NS/c1-6-2-4-8-5-3-7-6/h7H,1-5H2
InChIKeyUNNIKVCUVUAAGZ-UHFFFAOYSA-N
MW129.23 g/mol
LogP1.23
Rot. Bonds

About 5-methylidene-1,4-thiazepane

5-methylidene-1,4-thiazepane (PubChem CID 142847544) has the molecular formula C6H11NS and a molecular weight of 129.23 g/mol. Its IUPAC name is 5-methylidene-1,4-thiazepane.

Molecular Properties

Compound Name5-methylidene-1,4-thiazepane
PubChem CID142847544
Molecular FormulaC6H11NS
Molecular Weight129.23 g/mol
Exact Mass129.06
IUPAC Name5-methylidene-1,4-thiazepane
SMILESC=C1CCSCCN1
InChIInChI=1S/C6H11NS/c1-6-2-4-8-5-3-7-6/h7H,1-5H2
InChIKeyUNNIKVCUVUAAGZ-UHFFFAOYSA-N
XLogP1.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.23
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-Dimethyl-5-methylidene-1,4-thiazepane
CID 18721718
6-Methyl-5-methylidene-1,4-thiazepane
CID 53799095
2-Methyl-5-methylidene-1,4-thiazepane
CID 53997684
3-Methyl-5-methylidene-1,4-thiazepane
CID 54335269
3-Methyl-5,7-dimethylidene-1,4-thiazepane
CID 130416383
2,4-Diethyl-2,3-dihydro-1,3-thiazole
CID 141791077
4-butylsulfanyl-N-ethylbut-1-en-2-amine
CID 153593517
N-(2-butan-2-ylsulfanylethyl)but-1-en-2-amine
CID 169607183
N-ethyl-2,3-dihydrothiophen-4-amine
CID 55299959

Frequently Asked Questions

What is the IUPAC name of 5-methylidene-1,4-thiazepane?
The IUPAC name of 5-methylidene-1,4-thiazepane (CID 142847544) is 5-methylidene-1,4-thiazepane.
What is the SMILES notation for 5-methylidene-1,4-thiazepane?
The canonical SMILES for 5-methylidene-1,4-thiazepane is C=C1CCSCCN1.
What is the InChIKey of 5-methylidene-1,4-thiazepane?
The InChIKey is UNNIKVCUVUAAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NS/c1-6-2-4-8-5-3-7-6/h7H,1-5H2.
What are the key properties of 5-methylidene-1,4-thiazepane?
5-methylidene-1,4-thiazepane has a molecular weight of 129.23 g/mol, XLogP of 1.23, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-1,4-thiazepane is sourced from PubChem (CID 142847544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).