ethane;1-methyl-2-methylideneazepane;4-methyl-3-methylidenemorpholine;3-methyl-4-methylidene-1,3-oxazinane;1-methyl-2-methylidenepiperidine;1-methyl-2-methylidenepyrrolidine;4-methyl-3-methylidene-1,4-thiazinane 1,1-dioxide;3-methyl-4-methylidene-1,3-thiazolidine;4-methyl-3-methylidenethiomorpholine

C66H140N8O4S3 — CID 158974059

IUPACethane;1-methyl-2-methylideneazepane;4-methyl-3-methylidenemorpholine;3-methyl-4-methylidene-1,3-oxazinane;1-methyl-2-methylidenepiperidine;1-methyl-2-methylidenepyrrolidine;4-methyl-3-methylidene-1,4-thiazinane 1,1-dioxide;3-methyl-4-methylidene-1,3-thiazolidine;4-methyl-3-methylidenethiomorpholine
SMILESC=C1CCCCCN1C.C=C1CCCCN1C.C=C1CCCN1C.C=C1CCOCN1C.C=C1COCCN1C.C=C1CS(=O)(=O)CCN1C.C=C1CSCCN1C.C=C1CSCN1C.CC.CC.CC.CC.CC.CC.CC.CC
InChIInChI=1S/C8H15N.C7H13N.C6H11NO2S.2C6H11NO.C6H11NS.C6H11N.C5H9NS.8C2H6/c1-8-6-4-3-5-7-9(8)2;1-7-5-3-4-6-8(7)2;1-6-5-10(8,9)4-3-7(6)2;1-6-5-8-4-3-7(6)2;1-6-3-4-8-5-7(6)2;1-6-5-8-4-3-7(6)2;1-6-4-3-5-7(6)2;1-5-3-7-4-6(5)2;8*1-2/h1,3-7H2,2H3;1,3-6H2,2H3;1,3-5H2,2H3;3*1,3-5H2,2H3;1,3-5H2,2H3;1,3-4H2,2H3;8*1-2H3
InChIKeyJODWJKUQFCPDGG-UHFFFAOYSA-N
MW1206.10 g/mol
LogP16.50
Rot. Bonds

About ethane;1-methyl-2-methylideneazepane;4-methyl-3-methylidenemorpholine;3-methyl-4-methylidene-1,3-oxazinane;1-methyl-2-methylidenepiperidine;1-methyl-2-methylidenepyrrolidine;4-methyl-3-methylidene-1,4-thiazinane 1,1-dioxide;3-methyl-4-methylidene-1,3-thiazolidine;4-methyl-3-methylidenethiomorpholine

ethane;1-methyl-2-methylideneazepane;4-methyl-3-methylidenemorpholine;3-methyl-4-methylidene-1,3-oxazinane;1-methyl-2-methylidenepiperidine;1-methyl-2-methylidenepyrrolidine;4-methyl-3-methylidene-1,4-thiazinane 1,1-dioxide;3-methyl-4-methylidene-1,3-thiazolidine;4-methyl-3-methylidenethiomorpholine (PubChem CID 158974059) has the molecular formula C66H140N8O4S3 and a molecular weight of 1206.10 g/mol. Its IUPAC name is ethane;1-methyl-2-methylideneazepane;4-methyl-3-methylidenemorpholine;3-methyl-4-methylidene-1,3-oxazinane;1-methyl-2-methylidenepiperidine;1-methyl-2-methylidenepyrrolidine;4-methyl-3-methylidene-1,4-thiazinane 1,1-dioxide;3-methyl-4-methylidene-1,3-thiazolidine;4-methyl-3-methylidenethiomorpholine.

Molecular Properties

Compound Nameethane;1-methyl-2-methylideneazepane;4-methyl-3-methylidenemorpholine;3-methyl-4-methylidene-1,3-oxazinane;1-methyl-2-methylidenepiperidine;1-methyl-2-methylidenepyrrolidine;4-methyl-3-methylidene-1,4-thiazinane 1,1-dioxide;3-methyl-4-methylidene-1,3-thiazolidine;4-methyl-3-methylidenethiomorpholine
PubChem CID158974059
Molecular FormulaC66H140N8O4S3
Molecular Weight1206.10 g/mol
Exact Mass1205.02
IUPAC Nameethane;1-methyl-2-methylideneazepane;4-methyl-3-methylidenemorpholine;3-methyl-4-methylidene-1,3-oxazinane;1-methyl-2-methylidenepiperidine;1-methyl-2-methylidenepyrrolidine;4-methyl-3-methylidene-1,4-thiazinane 1,1-dioxide;3-methyl-4-methylidene-1,3-thiazolidine;4-methyl-3-methylidenethiomorpholine
SMILESC=C1CCCCCN1C.C=C1CCCCN1C.C=C1CCCN1C.C=C1CCOCN1C.C=C1COCCN1C.C=C1CS(=O)(=O)CCN1C.C=C1CSCCN1C.C=C1CSCN1C.CC.CC.CC.CC.CC.CC.CC.CC
InChIInChI=1S/C8H15N.C7H13N.C6H11NO2S.2C6H11NO.C6H11NS.C6H11N.C5H9NS.8C2H6/c1-8-6-4-3-5-7-9(8)2;1-7-5-3-4-6-8(7)2;1-6-5-10(8,9)4-3-7(6)2;1-6-5-8-4-3-7(6)2;1-6-3-4-8-5-7(6)2;1-6-5-8-4-3-7(6)2;1-6-4-3-5-7(6)2;1-5-3-7-4-6(5)2;8*1-2/h1,3-7H2,2H3;1,3-6H2,2H3;1,3-5H2,2H3;3*1,3-5H2,2H3;1,3-5H2,2H3;1,3-4H2,2H3;8*1-2H3
InChIKeyJODWJKUQFCPDGG-UHFFFAOYSA-N
XLogP16.50
TPSA78.52 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds
Heavy Atoms81
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001206.10
LogP ≤ 516.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze ethane;1-methyl-2-methylideneazepane;4-methyl-3-methylidenemorpholine;3-methyl-4-methylidene-1,3-oxazinane;1-methyl-2-methylidenepiperidine;1-methyl-2-methylidenepyrrolidine;4-methyl-3-methylidene-1,4-thiazinane 1,1-dioxide;3-methyl-4-methylidene-1,3-thiazolidine;4-methyl-3-methylidenethiomorpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-2-methylideneazepane;4-methyl-3-methylidenemorpholine;3-methyl-4-methylidene-1,3-oxazinane;1-methyl-2-methylidenepiperidine;1-methyl-2-methylidenepyrrolidine;4-methyl-3-methylidene-1,4-thiazinane 1,1-dioxide;3-methyl-4-methylidene-1,3-thiazolidine;4-methyl-3-methylidenethiomorpholine?
The IUPAC name of ethane;1-methyl-2-methylideneazepane;4-methyl-3-methylidenemorpholine;3-methyl-4-methylidene-1,3-oxazinane;1-methyl-2-methylidenepiperidine;1-methyl-2-methylidenepyrrolidine;4-methyl-3-methylidene-1,4-thiazinane 1,1-dioxide;3-methyl-4-methylidene-1,3-thiazolidine;4-methyl-3-methylidenethiomorpholine (CID 158974059) is ethane;1-methyl-2-methylideneazepane;4-methyl-3-methylidenemorpholine;3-methyl-4-methylidene-1,3-oxazinane;1-methyl-2-methylidenepiperidine;1-methyl-2-methylidenepyrrolidine;4-methyl-3-methylidene-1,4-thiazinane 1,1-dioxide;3-methyl-4-methylidene-1,3-thiazolidine;4-methyl-3-methylidenethiomorpholine.
What is the SMILES notation for ethane;1-methyl-2-methylideneazepane;4-methyl-3-methylidenemorpholine;3-methyl-4-methylidene-1,3-oxazinane;1-methyl-2-methylidenepiperidine;1-methyl-2-methylidenepyrrolidine;4-methyl-3-methylidene-1,4-thiazinane 1,1-dioxide;3-methyl-4-methylidene-1,3-thiazolidine;4-methyl-3-methylidenethiomorpholine?
The canonical SMILES for ethane;1-methyl-2-methylideneazepane;4-methyl-3-methylidenemorpholine;3-methyl-4-methylidene-1,3-oxazinane;1-methyl-2-methylidenepiperidine;1-methyl-2-methylidenepyrrolidine;4-methyl-3-methylidene-1,4-thiazinane 1,1-dioxide;3-methyl-4-methylidene-1,3-thiazolidine;4-methyl-3-methylidenethiomorpholine is C=C1CCCCCN1C.C=C1CCCCN1C.C=C1CCCN1C.C=C1CCOCN1C.C=C1COCCN1C.C=C1CS(=O)(=O)CCN1C.C=C1CSCCN1C.C=C1CSCN1C.CC.CC.CC.CC.CC.CC.CC.CC.
What is the InChIKey of ethane;1-methyl-2-methylideneazepane;4-methyl-3-methylidenemorpholine;3-methyl-4-methylidene-1,3-oxazinane;1-methyl-2-methylidenepiperidine;1-methyl-2-methylidenepyrrolidine;4-methyl-3-methylidene-1,4-thiazinane 1,1-dioxide;3-methyl-4-methylidene-1,3-thiazolidine;4-methyl-3-methylidenethiomorpholine?
The InChIKey is JODWJKUQFCPDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N.C7H13N.C6H11NO2S.2C6H11NO.C6H11NS.C6H11N.C5H9NS.8C2H6/c1-8-6-4-3-5-7-9(8)2;1-7-5-3-4-6-8(7)2;1-6-5-10(8,9)4-3-7(6)2;1-6-5-8-4-3-7(6)2;1-6-3-4-8-5-7(6)2;1-6-5-8-4-3-7(6)2;1-6-4-3-5-7(6)2;1-5-3-7-4-6(5)2;8*1-2/h1,3-7H2,2H3;1,3-6H2,2H3;1,3-5H2,2H3;3*1,3-5H2,2H3;1,3-5H2,2H3;1,3-4H2,2H3;8*1-2H3.
What are the key properties of ethane;1-methyl-2-methylideneazepane;4-methyl-3-methylidenemorpholine;3-methyl-4-methylidene-1,3-oxazinane;1-methyl-2-methylidenepiperidine;1-methyl-2-methylidenepyrrolidine;4-methyl-3-methylidene-1,4-thiazinane 1,1-dioxide;3-methyl-4-methylidene-1,3-thiazolidine;4-methyl-3-methylidenethiomorpholine?
ethane;1-methyl-2-methylideneazepane;4-methyl-3-methylidenemorpholine;3-methyl-4-methylidene-1,3-oxazinane;1-methyl-2-methylidenepiperidine;1-methyl-2-methylidenepyrrolidine;4-methyl-3-methylidene-1,4-thiazinane 1,1-dioxide;3-methyl-4-methylidene-1,3-thiazolidine;4-methyl-3-methylidenethiomorpholine has a molecular weight of 1206.10 g/mol, XLogP of 16.50, 0 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-2-methylideneazepane;4-methyl-3-methylidenemorpholine;3-methyl-4-methylidene-1,3-oxazinane;1-methyl-2-methylidenepiperidine;1-methyl-2-methylidenepyrrolidine;4-methyl-3-methylidene-1,4-thiazinane 1,1-dioxide;3-methyl-4-methylidene-1,3-thiazolidine;4-methyl-3-methylidenethiomorpholine is sourced from PubChem (CID 158974059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).