N-(2-methylsulfanylethyl)-2-morpholin-2-ylacetamide

C9H18N2O2S — CID 66428331

IUPACN-(2-methylsulfanylethyl)-2-morpholin-2-ylacetamide
SMILESCSCCNC(=O)CC1CNCCO1
InChIInChI=1S/C9H18N2O2S/c1-14-5-3-11-9(12)6-8-7-10-2-4-13-8/h8,10H,2-7H2,1H3,(H,11,12)
InChIKeyZEAOTJFPMHLJLH-UHFFFAOYSA-N
MW218.32 g/mol
LogP-0.16
Rot. Bonds5

About N-(2-methylsulfanylethyl)-2-morpholin-2-ylacetamide

N-(2-methylsulfanylethyl)-2-morpholin-2-ylacetamide (PubChem CID 66428331) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is N-(2-methylsulfanylethyl)-2-morpholin-2-ylacetamide.

Molecular Properties

Compound NameN-(2-methylsulfanylethyl)-2-morpholin-2-ylacetamide
PubChem CID66428331
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC NameN-(2-methylsulfanylethyl)-2-morpholin-2-ylacetamide
SMILESCSCCNC(=O)CC1CNCCO1
InChIInChI=1S/C9H18N2O2S/c1-14-5-3-11-9(12)6-8-7-10-2-4-13-8/h8,10H,2-7H2,1H3,(H,11,12)
InChIKeyZEAOTJFPMHLJLH-UHFFFAOYSA-N
XLogP-0.16
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
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-(2-methylsulfanylethyl)-2-morpholin-2-ylacetamide?
The IUPAC name of N-(2-methylsulfanylethyl)-2-morpholin-2-ylacetamide (CID 66428331) is N-(2-methylsulfanylethyl)-2-morpholin-2-ylacetamide.
What is the SMILES notation for N-(2-methylsulfanylethyl)-2-morpholin-2-ylacetamide?
The canonical SMILES for N-(2-methylsulfanylethyl)-2-morpholin-2-ylacetamide is CSCCNC(=O)CC1CNCCO1.
What is the InChIKey of N-(2-methylsulfanylethyl)-2-morpholin-2-ylacetamide?
The InChIKey is ZEAOTJFPMHLJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c1-14-5-3-11-9(12)6-8-7-10-2-4-13-8/h8,10H,2-7H2,1H3,(H,11,12).
What are the key properties of N-(2-methylsulfanylethyl)-2-morpholin-2-ylacetamide?
N-(2-methylsulfanylethyl)-2-morpholin-2-ylacetamide has a molecular weight of 218.32 g/mol, XLogP of -0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylethyl)-2-morpholin-2-ylacetamide is sourced from PubChem (CID 66428331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).