ethane;4-methyl-3-methylidenethiomorpholine

C8H17NS — CID 91055577

IUPACethane;4-methyl-3-methylidenethiomorpholine
SMILESC=C1CSCCN1C.CC
InChIInChI=1S/C6H11NS.C2H6/c1-6-5-8-4-3-7(6)2;1-2/h1,3-5H2,2H3;1-2H3
InChIKeyZOMJMOZAAPGYEL-UHFFFAOYSA-N
MW159.30 g/mol
LogP2.20
Rot. Bonds

About ethane;4-methyl-3-methylidenethiomorpholine

ethane;4-methyl-3-methylidenethiomorpholine (PubChem CID 91055577) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is ethane;4-methyl-3-methylidenethiomorpholine.

Molecular Properties

Compound Nameethane;4-methyl-3-methylidenethiomorpholine
PubChem CID91055577
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Nameethane;4-methyl-3-methylidenethiomorpholine
SMILESC=C1CSCCN1C.CC
InChIInChI=1S/C6H11NS.C2H6/c1-6-5-8-4-3-7(6)2;1-2/h1,3-5H2,2H3;1-2H3
InChIKeyZOMJMOZAAPGYEL-UHFFFAOYSA-N
XLogP2.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methyl-3-methylidene-1,4-thiazinane 1-oxide
CID 57557910
4-Methyl-3-methylidenethiomorpholine
CID 59520043
4,5-Dimethyl-2,3-dihydro-1,4-thiazine
CID 59751939
4-Tert-butyl-2-methylidenethiomorpholine
CID 70670572
4-Methyl-2,3-dimethylidenethiomorpholine
CID 89047027
4,4-Dimethyl-2,3-dimethylidenethiomorpholin-4-ium
CID 89047071
4-Pent-1-en-2-ylthiomorpholine
CID 89706674
4-[(E)-but-2-en-2-yl]thiomorpholine
CID 117661812
3-ethylsulfanyl-N-methyl-N-propylprop-1-en-2-amine
CID 123421700
4-But-2-en-2-ylthiomorpholine
CID 123957364
3-ethylsulfanyl-N-methyl-N-propan-2-ylprop-1-en-2-amine
CID 126549556
4-But-1-en-2-ylthiomorpholine;ethane
CID 141952831

Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-3-methylidenethiomorpholine?
The IUPAC name of ethane;4-methyl-3-methylidenethiomorpholine (CID 91055577) is ethane;4-methyl-3-methylidenethiomorpholine.
What is the SMILES notation for ethane;4-methyl-3-methylidenethiomorpholine?
The canonical SMILES for ethane;4-methyl-3-methylidenethiomorpholine is C=C1CSCCN1C.CC.
What is the InChIKey of ethane;4-methyl-3-methylidenethiomorpholine?
The InChIKey is ZOMJMOZAAPGYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NS.C2H6/c1-6-5-8-4-3-7(6)2;1-2/h1,3-5H2,2H3;1-2H3.
What are the key properties of ethane;4-methyl-3-methylidenethiomorpholine?
ethane;4-methyl-3-methylidenethiomorpholine has a molecular weight of 159.30 g/mol, XLogP of 2.20, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-3-methylidenethiomorpholine is sourced from PubChem (CID 91055577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).