N-cyclopropyl-2-(2-ethylthiomorpholin-4-yl)-N-methylacetamide

C12H22N2OS — CID 71988545

IUPACN-cyclopropyl-2-(2-ethylthiomorpholin-4-yl)-N-methylacetamide
SMILESCCC1CN(CC(=O)N(C)C2CC2)CCS1
InChIInChI=1S/C12H22N2OS/c1-3-11-8-14(6-7-16-11)9-12(15)13(2)10-4-5-10/h10-11H,3-9H2,1-2H3
InChIKeyJUTDHZISTZTFAD-UHFFFAOYSA-N
MW242.39 g/mol
LogP1.43
Rot. Bonds4

About N-cyclopropyl-2-(2-ethylthiomorpholin-4-yl)-N-methylacetamide

N-cyclopropyl-2-(2-ethylthiomorpholin-4-yl)-N-methylacetamide (PubChem CID 71988545) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is N-cyclopropyl-2-(2-ethylthiomorpholin-4-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(2-ethylthiomorpholin-4-yl)-N-methylacetamide
PubChem CID71988545
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC NameN-cyclopropyl-2-(2-ethylthiomorpholin-4-yl)-N-methylacetamide
SMILESCCC1CN(CC(=O)N(C)C2CC2)CCS1
InChIInChI=1S/C12H22N2OS/c1-3-11-8-14(6-7-16-11)9-12(15)13(2)10-4-5-10/h10-11H,3-9H2,1-2H3
InChIKeyJUTDHZISTZTFAD-UHFFFAOYSA-N
XLogP1.43
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(2-ethylthiomorpholin-4-yl)-N-methylacetamide?
The IUPAC name of N-cyclopropyl-2-(2-ethylthiomorpholin-4-yl)-N-methylacetamide (CID 71988545) is N-cyclopropyl-2-(2-ethylthiomorpholin-4-yl)-N-methylacetamide.
What is the SMILES notation for N-cyclopropyl-2-(2-ethylthiomorpholin-4-yl)-N-methylacetamide?
The canonical SMILES for N-cyclopropyl-2-(2-ethylthiomorpholin-4-yl)-N-methylacetamide is CCC1CN(CC(=O)N(C)C2CC2)CCS1.
What is the InChIKey of N-cyclopropyl-2-(2-ethylthiomorpholin-4-yl)-N-methylacetamide?
The InChIKey is JUTDHZISTZTFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-3-11-8-14(6-7-16-11)9-12(15)13(2)10-4-5-10/h10-11H,3-9H2,1-2H3.
What are the key properties of N-cyclopropyl-2-(2-ethylthiomorpholin-4-yl)-N-methylacetamide?
N-cyclopropyl-2-(2-ethylthiomorpholin-4-yl)-N-methylacetamide has a molecular weight of 242.39 g/mol, XLogP of 1.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(2-ethylthiomorpholin-4-yl)-N-methylacetamide is sourced from PubChem (CID 71988545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).