2-[methyl(methylsulfonyl)amino]-N-(4-morpholin-4-ylbut-2-ynyl)acetamide

C12H21N3O4S — CID 71792713

IUPAC2-[methyl(methylsulfonyl)amino]-N-(4-morpholin-4-ylbut-2-ynyl)acetamide
SMILESCN(CC(=O)NCC#CCN1CCOCC1)S(C)(=O)=O
InChIInChI=1S/C12H21N3O4S/c1-14(20(2,17)18)11-12(16)13-5-3-4-6-15-7-9-19-10-8-15/h5-11H2,1-2H3,(H,13,16)
InChIKeyDCEDUXVIQRVYHG-UHFFFAOYSA-N
MW303.38 g/mol
LogP-1.67
Rot. Bonds5

About 2-[methyl(methylsulfonyl)amino]-N-(4-morpholin-4-ylbut-2-ynyl)acetamide

2-[methyl(methylsulfonyl)amino]-N-(4-morpholin-4-ylbut-2-ynyl)acetamide (PubChem CID 71792713) has the molecular formula C12H21N3O4S and a molecular weight of 303.38 g/mol. Its IUPAC name is 2-[methyl(methylsulfonyl)amino]-N-(4-morpholin-4-ylbut-2-ynyl)acetamide.

Molecular Properties

Compound Name2-[methyl(methylsulfonyl)amino]-N-(4-morpholin-4-ylbut-2-ynyl)acetamide
PubChem CID71792713
Molecular FormulaC12H21N3O4S
Molecular Weight303.38 g/mol
Exact Mass303.13
IUPAC Name2-[methyl(methylsulfonyl)amino]-N-(4-morpholin-4-ylbut-2-ynyl)acetamide
SMILESCN(CC(=O)NCC#CCN1CCOCC1)S(C)(=O)=O
InChIInChI=1S/C12H21N3O4S/c1-14(20(2,17)18)11-12(16)13-5-3-4-6-15-7-9-19-10-8-15/h5-11H2,1-2H3,(H,13,16)
InChIKeyDCEDUXVIQRVYHG-UHFFFAOYSA-N
XLogP-1.67
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 5-1.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(methylsulfonyl)amino]-N-(4-morpholin-4-ylbut-2-ynyl)acetamide?
The IUPAC name of 2-[methyl(methylsulfonyl)amino]-N-(4-morpholin-4-ylbut-2-ynyl)acetamide (CID 71792713) is 2-[methyl(methylsulfonyl)amino]-N-(4-morpholin-4-ylbut-2-ynyl)acetamide.
What is the SMILES notation for 2-[methyl(methylsulfonyl)amino]-N-(4-morpholin-4-ylbut-2-ynyl)acetamide?
The canonical SMILES for 2-[methyl(methylsulfonyl)amino]-N-(4-morpholin-4-ylbut-2-ynyl)acetamide is CN(CC(=O)NCC#CCN1CCOCC1)S(C)(=O)=O.
What is the InChIKey of 2-[methyl(methylsulfonyl)amino]-N-(4-morpholin-4-ylbut-2-ynyl)acetamide?
The InChIKey is DCEDUXVIQRVYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4S/c1-14(20(2,17)18)11-12(16)13-5-3-4-6-15-7-9-19-10-8-15/h5-11H2,1-2H3,(H,13,16).
What are the key properties of 2-[methyl(methylsulfonyl)amino]-N-(4-morpholin-4-ylbut-2-ynyl)acetamide?
2-[methyl(methylsulfonyl)amino]-N-(4-morpholin-4-ylbut-2-ynyl)acetamide has a molecular weight of 303.38 g/mol, XLogP of -1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(methylsulfonyl)amino]-N-(4-morpholin-4-ylbut-2-ynyl)acetamide is sourced from PubChem (CID 71792713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).