2-methyl-N-(2-thiomorpholin-4-ylethyl)propanamide

C10H20N2OS — CID 59205267

IUPAC2-methyl-N-(2-thiomorpholin-4-ylethyl)propanamide
SMILESCC(C)C(=O)NCCN1CCSCC1
InChIInChI=1S/C10H20N2OS/c1-9(2)10(13)11-3-4-12-5-7-14-8-6-12/h9H,3-8H2,1-2H3,(H,11,13)
InChIKeyTYGWCFGTUGKVIO-UHFFFAOYSA-N
MW216.35 g/mol
LogP0.81
Rot. Bonds4

About 2-methyl-N-(2-thiomorpholin-4-ylethyl)propanamide

2-methyl-N-(2-thiomorpholin-4-ylethyl)propanamide (PubChem CID 59205267) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is 2-methyl-N-(2-thiomorpholin-4-ylethyl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(2-thiomorpholin-4-ylethyl)propanamide
PubChem CID59205267
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Name2-methyl-N-(2-thiomorpholin-4-ylethyl)propanamide
SMILESCC(C)C(=O)NCCN1CCSCC1
InChIInChI=1S/C10H20N2OS/c1-9(2)10(13)11-3-4-12-5-7-14-8-6-12/h9H,3-8H2,1-2H3,(H,11,13)
InChIKeyTYGWCFGTUGKVIO-UHFFFAOYSA-N
XLogP0.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-thiomorpholin-4-ylethyl)propanamide?
The IUPAC name of 2-methyl-N-(2-thiomorpholin-4-ylethyl)propanamide (CID 59205267) is 2-methyl-N-(2-thiomorpholin-4-ylethyl)propanamide.
What is the SMILES notation for 2-methyl-N-(2-thiomorpholin-4-ylethyl)propanamide?
The canonical SMILES for 2-methyl-N-(2-thiomorpholin-4-ylethyl)propanamide is CC(C)C(=O)NCCN1CCSCC1.
What is the InChIKey of 2-methyl-N-(2-thiomorpholin-4-ylethyl)propanamide?
The InChIKey is TYGWCFGTUGKVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-9(2)10(13)11-3-4-12-5-7-14-8-6-12/h9H,3-8H2,1-2H3,(H,11,13).
What are the key properties of 2-methyl-N-(2-thiomorpholin-4-ylethyl)propanamide?
2-methyl-N-(2-thiomorpholin-4-ylethyl)propanamide has a molecular weight of 216.35 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-thiomorpholin-4-ylethyl)propanamide is sourced from PubChem (CID 59205267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).