ethane;N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine

C9H22N2S — CID 177244220

IUPACethane;N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine
SMILESCC.CNCC1CSCCN1C
InChIInChI=1S/C7H16N2S.C2H6/c1-8-5-7-6-10-4-3-9(7)2;1-2/h7-8H,3-6H2,1-2H3;1-2H3
InChIKeyLGQRVBTVLUDFBF-UHFFFAOYSA-N
MW190.36 g/mol
LogP1.28
Rot. Bonds2

About ethane;N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine

ethane;N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine (PubChem CID 177244220) has the molecular formula C9H22N2S and a molecular weight of 190.36 g/mol. Its IUPAC name is ethane;N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine.

Molecular Properties

Compound Nameethane;N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine
PubChem CID177244220
Molecular FormulaC9H22N2S
Molecular Weight190.36 g/mol
Exact Mass190.15
IUPAC Nameethane;N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine
SMILESCC.CNCC1CSCCN1C
InChIInChI=1S/C7H16N2S.C2H6/c1-8-5-7-6-10-4-3-9(7)2;1-2/h7-8H,3-6H2,1-2H3;1-2H3
InChIKeyLGQRVBTVLUDFBF-UHFFFAOYSA-N
XLogP1.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.36
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine?
The IUPAC name of ethane;N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine (CID 177244220) is ethane;N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine.
What is the SMILES notation for ethane;N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine?
The canonical SMILES for ethane;N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine is CC.CNCC1CSCCN1C.
What is the InChIKey of ethane;N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine?
The InChIKey is LGQRVBTVLUDFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2S.C2H6/c1-8-5-7-6-10-4-3-9(7)2;1-2/h7-8H,3-6H2,1-2H3;1-2H3.
What are the key properties of ethane;N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine?
ethane;N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine has a molecular weight of 190.36 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine is sourced from PubChem (CID 177244220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).