5-methyl-N-(2-morpholin-4-ylethyl)thiolan-3-amine

C11H22N2OS — CID 79942338

IUPAC5-methyl-N-(2-morpholin-4-ylethyl)thiolan-3-amine
SMILESCC1CC(NCCN2CCOCC2)CS1
InChIInChI=1S/C11H22N2OS/c1-10-8-11(9-15-10)12-2-3-13-4-6-14-7-5-13/h10-12H,2-9H2,1H3
InChIKeyQNBIEMQTTMWXOV-UHFFFAOYSA-N
MW230.38 g/mol
LogP0.80
Rot. Bonds4

About 5-methyl-N-(2-morpholin-4-ylethyl)thiolan-3-amine

5-methyl-N-(2-morpholin-4-ylethyl)thiolan-3-amine (PubChem CID 79942338) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is 5-methyl-N-(2-morpholin-4-ylethyl)thiolan-3-amine.

Molecular Properties

Compound Name5-methyl-N-(2-morpholin-4-ylethyl)thiolan-3-amine
PubChem CID79942338
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC Name5-methyl-N-(2-morpholin-4-ylethyl)thiolan-3-amine
SMILESCC1CC(NCCN2CCOCC2)CS1
InChIInChI=1S/C11H22N2OS/c1-10-8-11(9-15-10)12-2-3-13-4-6-14-7-5-13/h10-12H,2-9H2,1H3
InChIKeyQNBIEMQTTMWXOV-UHFFFAOYSA-N
XLogP0.80
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-morpholin-4-ylethyl)thiolan-3-amine?
The IUPAC name of 5-methyl-N-(2-morpholin-4-ylethyl)thiolan-3-amine (CID 79942338) is 5-methyl-N-(2-morpholin-4-ylethyl)thiolan-3-amine.
What is the SMILES notation for 5-methyl-N-(2-morpholin-4-ylethyl)thiolan-3-amine?
The canonical SMILES for 5-methyl-N-(2-morpholin-4-ylethyl)thiolan-3-amine is CC1CC(NCCN2CCOCC2)CS1.
What is the InChIKey of 5-methyl-N-(2-morpholin-4-ylethyl)thiolan-3-amine?
The InChIKey is QNBIEMQTTMWXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-10-8-11(9-15-10)12-2-3-13-4-6-14-7-5-13/h10-12H,2-9H2,1H3.
What are the key properties of 5-methyl-N-(2-morpholin-4-ylethyl)thiolan-3-amine?
5-methyl-N-(2-morpholin-4-ylethyl)thiolan-3-amine has a molecular weight of 230.38 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-morpholin-4-ylethyl)thiolan-3-amine is sourced from PubChem (CID 79942338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).