N-cyclopropyl-N-methyl-2-(2-morpholin-4-ylethylsulfanyl)acetamide

C12H22N2O2S — CID 75435205

IUPACN-cyclopropyl-N-methyl-2-(2-morpholin-4-ylethylsulfanyl)acetamide
SMILESCN(C(=O)CSCCN1CCOCC1)C1CC1
InChIInChI=1S/C12H22N2O2S/c1-13(11-2-3-11)12(15)10-17-9-6-14-4-7-16-8-5-14/h11H,2-10H2,1H3
InChIKeyBWGAZDZYSIBGKP-UHFFFAOYSA-N
MW258.39 g/mol
LogP0.67
Rot. Bonds6

About N-cyclopropyl-N-methyl-2-(2-morpholin-4-ylethylsulfanyl)acetamide

N-cyclopropyl-N-methyl-2-(2-morpholin-4-ylethylsulfanyl)acetamide (PubChem CID 75435205) has the molecular formula C12H22N2O2S and a molecular weight of 258.39 g/mol. Its IUPAC name is N-cyclopropyl-N-methyl-2-(2-morpholin-4-ylethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-methyl-2-(2-morpholin-4-ylethylsulfanyl)acetamide
PubChem CID75435205
Molecular FormulaC12H22N2O2S
Molecular Weight258.39 g/mol
Exact Mass258.14
IUPAC NameN-cyclopropyl-N-methyl-2-(2-morpholin-4-ylethylsulfanyl)acetamide
SMILESCN(C(=O)CSCCN1CCOCC1)C1CC1
InChIInChI=1S/C12H22N2O2S/c1-13(11-2-3-11)12(15)10-17-9-6-14-4-7-16-8-5-14/h11H,2-10H2,1H3
InChIKeyBWGAZDZYSIBGKP-UHFFFAOYSA-N
XLogP0.67
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-methyl-2-(2-morpholin-4-ylethylsulfanyl)acetamide?
The IUPAC name of N-cyclopropyl-N-methyl-2-(2-morpholin-4-ylethylsulfanyl)acetamide (CID 75435205) is N-cyclopropyl-N-methyl-2-(2-morpholin-4-ylethylsulfanyl)acetamide.
What is the SMILES notation for N-cyclopropyl-N-methyl-2-(2-morpholin-4-ylethylsulfanyl)acetamide?
The canonical SMILES for N-cyclopropyl-N-methyl-2-(2-morpholin-4-ylethylsulfanyl)acetamide is CN(C(=O)CSCCN1CCOCC1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-methyl-2-(2-morpholin-4-ylethylsulfanyl)acetamide?
The InChIKey is BWGAZDZYSIBGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S/c1-13(11-2-3-11)12(15)10-17-9-6-14-4-7-16-8-5-14/h11H,2-10H2,1H3.
What are the key properties of N-cyclopropyl-N-methyl-2-(2-morpholin-4-ylethylsulfanyl)acetamide?
N-cyclopropyl-N-methyl-2-(2-morpholin-4-ylethylsulfanyl)acetamide has a molecular weight of 258.39 g/mol, XLogP of 0.67, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-methyl-2-(2-morpholin-4-ylethylsulfanyl)acetamide is sourced from PubChem (CID 75435205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).