N-[2-[formyl(2-methylsulfonylethyl)amino]ethyl]acetamide

C8H16N2O4S — CID 88882188

IUPACN-[2-[formyl(2-methylsulfonylethyl)amino]ethyl]acetamide
SMILESCC(=O)NCCN(C=O)CCS(C)(=O)=O
InChIInChI=1S/C8H16N2O4S/c1-8(12)9-3-4-10(7-11)5-6-15(2,13)14/h7H,3-6H2,1-2H3,(H,9,12)
InChIKeyVCGMKCLGKLKXJB-UHFFFAOYSA-N
MW236.29 g/mol
LogP-1.37
Rot. Bonds7

About N-[2-[formyl(2-methylsulfonylethyl)amino]ethyl]acetamide

N-[2-[formyl(2-methylsulfonylethyl)amino]ethyl]acetamide (PubChem CID 88882188) has the molecular formula C8H16N2O4S and a molecular weight of 236.29 g/mol. Its IUPAC name is N-[2-[formyl(2-methylsulfonylethyl)amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[formyl(2-methylsulfonylethyl)amino]ethyl]acetamide
PubChem CID88882188
Molecular FormulaC8H16N2O4S
Molecular Weight236.29 g/mol
Exact Mass236.08
IUPAC NameN-[2-[formyl(2-methylsulfonylethyl)amino]ethyl]acetamide
SMILESCC(=O)NCCN(C=O)CCS(C)(=O)=O
InChIInChI=1S/C8H16N2O4S/c1-8(12)9-3-4-10(7-11)5-6-15(2,13)14/h7H,3-6H2,1-2H3,(H,9,12)
InChIKeyVCGMKCLGKLKXJB-UHFFFAOYSA-N
XLogP-1.37
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 5-1.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[formyl(2-methylsulfonylethyl)amino]ethyl]acetamide?
The IUPAC name of N-[2-[formyl(2-methylsulfonylethyl)amino]ethyl]acetamide (CID 88882188) is N-[2-[formyl(2-methylsulfonylethyl)amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[formyl(2-methylsulfonylethyl)amino]ethyl]acetamide?
The canonical SMILES for N-[2-[formyl(2-methylsulfonylethyl)amino]ethyl]acetamide is CC(=O)NCCN(C=O)CCS(C)(=O)=O.
What is the InChIKey of N-[2-[formyl(2-methylsulfonylethyl)amino]ethyl]acetamide?
The InChIKey is VCGMKCLGKLKXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4S/c1-8(12)9-3-4-10(7-11)5-6-15(2,13)14/h7H,3-6H2,1-2H3,(H,9,12).
What are the key properties of N-[2-[formyl(2-methylsulfonylethyl)amino]ethyl]acetamide?
N-[2-[formyl(2-methylsulfonylethyl)amino]ethyl]acetamide has a molecular weight of 236.29 g/mol, XLogP of -1.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[formyl(2-methylsulfonylethyl)amino]ethyl]acetamide is sourced from PubChem (CID 88882188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).