N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methoxyacetamide

C9H20N2O4S — CID 61150789

IUPACN-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methoxyacetamide
SMILESCCN(CCCNC(=O)COC)S(C)(=O)=O
InChIInChI=1S/C9H20N2O4S/c1-4-11(16(3,13)14)7-5-6-10-9(12)8-15-2/h4-8H2,1-3H3,(H,10,12)
InChIKeyQDSNJYCFFVHMLL-UHFFFAOYSA-N
MW252.34 g/mol
LogP-0.58
Rot. Bonds8

About N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methoxyacetamide

N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methoxyacetamide (PubChem CID 61150789) has the molecular formula C9H20N2O4S and a molecular weight of 252.34 g/mol. Its IUPAC name is N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methoxyacetamide
PubChem CID61150789
Molecular FormulaC9H20N2O4S
Molecular Weight252.34 g/mol
Exact Mass252.11
IUPAC NameN-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methoxyacetamide
SMILESCCN(CCCNC(=O)COC)S(C)(=O)=O
InChIInChI=1S/C9H20N2O4S/c1-4-11(16(3,13)14)7-5-6-10-9(12)8-15-2/h4-8H2,1-3H3,(H,10,12)
InChIKeyQDSNJYCFFVHMLL-UHFFFAOYSA-N
XLogP-0.58
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
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-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methoxyacetamide?
The IUPAC name of N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methoxyacetamide (CID 61150789) is N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methoxyacetamide.
What is the SMILES notation for N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methoxyacetamide?
The canonical SMILES for N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methoxyacetamide is CCN(CCCNC(=O)COC)S(C)(=O)=O.
What is the InChIKey of N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methoxyacetamide?
The InChIKey is QDSNJYCFFVHMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O4S/c1-4-11(16(3,13)14)7-5-6-10-9(12)8-15-2/h4-8H2,1-3H3,(H,10,12).
What are the key properties of N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methoxyacetamide?
N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methoxyacetamide has a molecular weight of 252.34 g/mol, XLogP of -0.58, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methoxyacetamide is sourced from PubChem (CID 61150789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).