N-ethyl-2-thiomorpholin-4-ylpropan-1-amine

C9H20N2S — CID 62419038

IUPACN-ethyl-2-thiomorpholin-4-ylpropan-1-amine
SMILESCCNCC(C)N1CCSCC1
InChIInChI=1S/C9H20N2S/c1-3-10-8-9(2)11-4-6-12-7-5-11/h9-10H,3-8H2,1-2H3
InChIKeyAGQOMIMNEJXZIG-UHFFFAOYSA-N
MW188.34 g/mol
LogP1.10
Rot. Bonds4

About N-ethyl-2-thiomorpholin-4-ylpropan-1-amine

N-ethyl-2-thiomorpholin-4-ylpropan-1-amine (PubChem CID 62419038) has the molecular formula C9H20N2S and a molecular weight of 188.34 g/mol. Its IUPAC name is N-ethyl-2-thiomorpholin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-thiomorpholin-4-ylpropan-1-amine
PubChem CID62419038
Molecular FormulaC9H20N2S
Molecular Weight188.34 g/mol
Exact Mass188.13
IUPAC NameN-ethyl-2-thiomorpholin-4-ylpropan-1-amine
SMILESCCNCC(C)N1CCSCC1
InChIInChI=1S/C9H20N2S/c1-3-10-8-9(2)11-4-6-12-7-5-11/h9-10H,3-8H2,1-2H3
InChIKeyAGQOMIMNEJXZIG-UHFFFAOYSA-N
XLogP1.10
TPSA40.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity113

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-thiomorpholin-4-ylpropan-1-amine?
The IUPAC name of N-ethyl-2-thiomorpholin-4-ylpropan-1-amine (CID 62419038) is N-ethyl-2-thiomorpholin-4-ylpropan-1-amine.
What is the SMILES notation for N-ethyl-2-thiomorpholin-4-ylpropan-1-amine?
The canonical SMILES for N-ethyl-2-thiomorpholin-4-ylpropan-1-amine is CCNCC(C)N1CCSCC1.
What is the InChIKey of N-ethyl-2-thiomorpholin-4-ylpropan-1-amine?
The InChIKey is AGQOMIMNEJXZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2S/c1-3-10-8-9(2)11-4-6-12-7-5-11/h9-10H,3-8H2,1-2H3.
What are the key properties of N-ethyl-2-thiomorpholin-4-ylpropan-1-amine?
N-ethyl-2-thiomorpholin-4-ylpropan-1-amine has a molecular weight of 188.34 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-thiomorpholin-4-ylpropan-1-amine is sourced from PubChem (CID 62419038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).