(3-ethyl-2-methylthiomorpholin-3-yl)methanamine

C8H18N2S — CID 110192120

IUPAC(3-ethyl-2-methylthiomorpholin-3-yl)methanamine
SMILESCCC1(CN)NCCSC1C
InChIInChI=1S/C8H18N2S/c1-3-8(6-9)7(2)11-5-4-10-8/h7,10H,3-6,9H2,1-2H3
InChIKeyFBGZWSGMCFHFEA-UHFFFAOYSA-N
MW174.31 g/mol
LogP0.82
Rot. Bonds2

About (3-ethyl-2-methylthiomorpholin-3-yl)methanamine

(3-ethyl-2-methylthiomorpholin-3-yl)methanamine (PubChem CID 110192120) has the molecular formula C8H18N2S and a molecular weight of 174.31 g/mol. Its IUPAC name is (3-ethyl-2-methylthiomorpholin-3-yl)methanamine.

Molecular Properties

Compound Name(3-ethyl-2-methylthiomorpholin-3-yl)methanamine
PubChem CID110192120
Molecular FormulaC8H18N2S
Molecular Weight174.31 g/mol
Exact Mass174.12
IUPAC Name(3-ethyl-2-methylthiomorpholin-3-yl)methanamine
SMILESCCC1(CN)NCCSC1C
InChIInChI=1S/C8H18N2S/c1-3-8(6-9)7(2)11-5-4-10-8/h7,10H,3-6,9H2,1-2H3
InChIKeyFBGZWSGMCFHFEA-UHFFFAOYSA-N
XLogP0.82
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.31
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-ethyl-2-methylthiomorpholin-3-yl)methanamine?
The IUPAC name of (3-ethyl-2-methylthiomorpholin-3-yl)methanamine (CID 110192120) is (3-ethyl-2-methylthiomorpholin-3-yl)methanamine.
What is the SMILES notation for (3-ethyl-2-methylthiomorpholin-3-yl)methanamine?
The canonical SMILES for (3-ethyl-2-methylthiomorpholin-3-yl)methanamine is CCC1(CN)NCCSC1C.
What is the InChIKey of (3-ethyl-2-methylthiomorpholin-3-yl)methanamine?
The InChIKey is FBGZWSGMCFHFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2S/c1-3-8(6-9)7(2)11-5-4-10-8/h7,10H,3-6,9H2,1-2H3.
What are the key properties of (3-ethyl-2-methylthiomorpholin-3-yl)methanamine?
(3-ethyl-2-methylthiomorpholin-3-yl)methanamine has a molecular weight of 174.31 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-2-methylthiomorpholin-3-yl)methanamine is sourced from PubChem (CID 110192120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).