N-methyl-2-thiomorpholin-4-ylethanamine

C7H16N2S — CID 14979283

IUPACN-methyl-2-thiomorpholin-4-ylethanamine
SMILESCNCCN1CCSCC1
InChIInChI=1S/C7H16N2S/c1-8-2-3-9-4-6-10-7-5-9/h8H,2-7H2,1H3
InChIKeyUBUXPNQXSFGIRS-UHFFFAOYSA-N
MW160.29 g/mol
LogP0.25
Rot. Bonds3

About N-methyl-2-thiomorpholin-4-ylethanamine

N-methyl-2-thiomorpholin-4-ylethanamine (PubChem CID 14979283) has the molecular formula C7H16N2S and a molecular weight of 160.29 g/mol. Its IUPAC name is N-methyl-2-thiomorpholin-4-ylethanamine.

Molecular Properties

Compound NameN-methyl-2-thiomorpholin-4-ylethanamine
PubChem CID14979283
Molecular FormulaC7H16N2S
Molecular Weight160.29 g/mol
Exact Mass160.10
IUPAC NameN-methyl-2-thiomorpholin-4-ylethanamine
SMILESCNCCN1CCSCC1
InChIInChI=1S/C7H16N2S/c1-8-2-3-9-4-6-10-7-5-9/h8H,2-7H2,1H3
InChIKeyUBUXPNQXSFGIRS-UHFFFAOYSA-N
XLogP0.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.29
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-thiomorpholin-4-ylethanamine?
The IUPAC name of N-methyl-2-thiomorpholin-4-ylethanamine (CID 14979283) is N-methyl-2-thiomorpholin-4-ylethanamine.
What is the SMILES notation for N-methyl-2-thiomorpholin-4-ylethanamine?
The canonical SMILES for N-methyl-2-thiomorpholin-4-ylethanamine is CNCCN1CCSCC1.
What is the InChIKey of N-methyl-2-thiomorpholin-4-ylethanamine?
The InChIKey is UBUXPNQXSFGIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2S/c1-8-2-3-9-4-6-10-7-5-9/h8H,2-7H2,1H3.
What are the key properties of N-methyl-2-thiomorpholin-4-ylethanamine?
N-methyl-2-thiomorpholin-4-ylethanamine has a molecular weight of 160.29 g/mol, XLogP of 0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-thiomorpholin-4-ylethanamine is sourced from PubChem (CID 14979283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).