(4-methylthiomorpholin-3-yl)methanamine

C6H14N2S — CID 83479318

IUPAC(4-methylthiomorpholin-3-yl)methanamine
SMILESCN1CCSCC1CN
InChIInChI=1S/C6H14N2S/c1-8-2-3-9-5-6(8)4-7/h6H,2-5,7H2,1H3
InChIKeySPOJMCFJJPQMGL-UHFFFAOYSA-N
MW146.26 g/mol
LogP-0.01
Rot. Bonds1

About (4-methylthiomorpholin-3-yl)methanamine

(4-methylthiomorpholin-3-yl)methanamine (PubChem CID 83479318) has the molecular formula C6H14N2S and a molecular weight of 146.26 g/mol. Its IUPAC name is (4-methylthiomorpholin-3-yl)methanamine.

Molecular Properties

Compound Name(4-methylthiomorpholin-3-yl)methanamine
PubChem CID83479318
Molecular FormulaC6H14N2S
Molecular Weight146.26 g/mol
Exact Mass146.09
IUPAC Name(4-methylthiomorpholin-3-yl)methanamine
SMILESCN1CCSCC1CN
InChIInChI=1S/C6H14N2S/c1-8-2-3-9-5-6(8)4-7/h6H,2-5,7H2,1H3
InChIKeySPOJMCFJJPQMGL-UHFFFAOYSA-N
XLogP-0.01
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.26
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methylthiomorpholin-3-yl)methanamine?
The IUPAC name of (4-methylthiomorpholin-3-yl)methanamine (CID 83479318) is (4-methylthiomorpholin-3-yl)methanamine.
What is the SMILES notation for (4-methylthiomorpholin-3-yl)methanamine?
The canonical SMILES for (4-methylthiomorpholin-3-yl)methanamine is CN1CCSCC1CN.
What is the InChIKey of (4-methylthiomorpholin-3-yl)methanamine?
The InChIKey is SPOJMCFJJPQMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2S/c1-8-2-3-9-5-6(8)4-7/h6H,2-5,7H2,1H3.
What are the key properties of (4-methylthiomorpholin-3-yl)methanamine?
(4-methylthiomorpholin-3-yl)methanamine has a molecular weight of 146.26 g/mol, XLogP of -0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylthiomorpholin-3-yl)methanamine is sourced from PubChem (CID 83479318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).