ethane;methanamine;1-thiomorpholin-4-ylbutan-1-one

C11H26N2OS — CID 143869964

IUPACethane;methanamine;1-thiomorpholin-4-ylbutan-1-one
SMILESCC.CCCC(=O)N1CCSCC1.CN
InChIInChI=1S/C8H15NOS.C2H6.CH5N/c1-2-3-8(10)9-4-6-11-7-5-9;2*1-2/h2-7H2,1H3;1-2H3;2H2,1H3
InChIKeyVVYGNEWFOIPNBG-UHFFFAOYSA-N
MW234.41 g/mol
LogP1.96
Rot. Bonds2

About ethane;methanamine;1-thiomorpholin-4-ylbutan-1-one

ethane;methanamine;1-thiomorpholin-4-ylbutan-1-one (PubChem CID 143869964) has the molecular formula C11H26N2OS and a molecular weight of 234.41 g/mol. Its IUPAC name is ethane;methanamine;1-thiomorpholin-4-ylbutan-1-one.

Molecular Properties

Compound Nameethane;methanamine;1-thiomorpholin-4-ylbutan-1-one
PubChem CID143869964
Molecular FormulaC11H26N2OS
Molecular Weight234.41 g/mol
Exact Mass234.18
IUPAC Nameethane;methanamine;1-thiomorpholin-4-ylbutan-1-one
SMILESCC.CCCC(=O)N1CCSCC1.CN
InChIInChI=1S/C8H15NOS.C2H6.CH5N/c1-2-3-8(10)9-4-6-11-7-5-9;2*1-2/h2-7H2,1H3;1-2H3;2H2,1H3
InChIKeyVVYGNEWFOIPNBG-UHFFFAOYSA-N
XLogP1.96
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.41
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;methanamine;1-thiomorpholin-4-ylbutan-1-one?
The IUPAC name of ethane;methanamine;1-thiomorpholin-4-ylbutan-1-one (CID 143869964) is ethane;methanamine;1-thiomorpholin-4-ylbutan-1-one.
What is the SMILES notation for ethane;methanamine;1-thiomorpholin-4-ylbutan-1-one?
The canonical SMILES for ethane;methanamine;1-thiomorpholin-4-ylbutan-1-one is CC.CCCC(=O)N1CCSCC1.CN.
What is the InChIKey of ethane;methanamine;1-thiomorpholin-4-ylbutan-1-one?
The InChIKey is VVYGNEWFOIPNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NOS.C2H6.CH5N/c1-2-3-8(10)9-4-6-11-7-5-9;2*1-2/h2-7H2,1H3;1-2H3;2H2,1H3.
What are the key properties of ethane;methanamine;1-thiomorpholin-4-ylbutan-1-one?
ethane;methanamine;1-thiomorpholin-4-ylbutan-1-one has a molecular weight of 234.41 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methanamine;1-thiomorpholin-4-ylbutan-1-one is sourced from PubChem (CID 143869964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).