3-methyl-5-methylidene-1,4-thiazepane

C7H13NS — CID 54335269

IUPAC3-methyl-5-methylidene-1,4-thiazepane
SMILESC=C1CCSCC(C)N1
InChIInChI=1S/C7H13NS/c1-6-3-4-9-5-7(2)8-6/h7-8H,1,3-5H2,2H3
InChIKeyTVANENRHRYNHQQ-UHFFFAOYSA-N
MW143.25 g/mol
LogP1.62
Rot. Bonds

About 3-methyl-5-methylidene-1,4-thiazepane

3-methyl-5-methylidene-1,4-thiazepane (PubChem CID 54335269) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is 3-methyl-5-methylidene-1,4-thiazepane.

Molecular Properties

Compound Name3-methyl-5-methylidene-1,4-thiazepane
PubChem CID54335269
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC Name3-methyl-5-methylidene-1,4-thiazepane
SMILESC=C1CCSCC(C)N1
InChIInChI=1S/C7H13NS/c1-6-3-4-9-5-7(2)8-6/h7-8H,1,3-5H2,2H3
InChIKeyTVANENRHRYNHQQ-UHFFFAOYSA-N
XLogP1.62
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 ≤ 51.62
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
4-Methyl-5-methylidene-1,4-thiazepane
CID 90244937
3-Methyl-5,7-dimethylidene-1,4-thiazepane
CID 130416383
3-ethyl-5-methyl-3,4-dihydro-2H-1,4-thiazine
CID 135220125
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
5-ethyl-3,4-dihydro-2H-1,4-thiazine
CID 55286480
N-ethyl-2,3-dihydrothiophen-4-amine
CID 55299959
5-Methylidene-1,4-thiazepane
CID 142847544

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-methylidene-1,4-thiazepane?
The IUPAC name of 3-methyl-5-methylidene-1,4-thiazepane (CID 54335269) is 3-methyl-5-methylidene-1,4-thiazepane.
What is the SMILES notation for 3-methyl-5-methylidene-1,4-thiazepane?
The canonical SMILES for 3-methyl-5-methylidene-1,4-thiazepane is C=C1CCSCC(C)N1.
What is the InChIKey of 3-methyl-5-methylidene-1,4-thiazepane?
The InChIKey is TVANENRHRYNHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NS/c1-6-3-4-9-5-7(2)8-6/h7-8H,1,3-5H2,2H3.
What are the key properties of 3-methyl-5-methylidene-1,4-thiazepane?
3-methyl-5-methylidene-1,4-thiazepane has a molecular weight of 143.25 g/mol, XLogP of 1.62, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-methylidene-1,4-thiazepane is sourced from PubChem (CID 54335269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).