2-acetamido-N-(1-morpholin-4-yl-1-oxopropan-2-yl)-3-sulfanylpropanamide

C12H21N3O4S — CID 107769834

IUPAC2-acetamido-N-(1-morpholin-4-yl-1-oxopropan-2-yl)-3-sulfanylpropanamide
SMILESCC(=O)NC(CS)C(=O)NC(C)C(=O)N1CCOCC1
InChIInChI=1S/C12H21N3O4S/c1-8(12(18)15-3-5-19-6-4-15)13-11(17)10(7-20)14-9(2)16/h8,10,20H,3-7H2,1-2H3,(H,13,17)(H,14,16)
InChIKeyGRGAYWBFQLXIFW-UHFFFAOYSA-N
MW303.38 g/mol
LogP-1.22
Rot. Bonds5

About 2-acetamido-N-(1-morpholin-4-yl-1-oxopropan-2-yl)-3-sulfanylpropanamide

2-acetamido-N-(1-morpholin-4-yl-1-oxopropan-2-yl)-3-sulfanylpropanamide (PubChem CID 107769834) has the molecular formula C12H21N3O4S and a molecular weight of 303.38 g/mol. Its IUPAC name is 2-acetamido-N-(1-morpholin-4-yl-1-oxopropan-2-yl)-3-sulfanylpropanamide.

Molecular Properties

Compound Name2-acetamido-N-(1-morpholin-4-yl-1-oxopropan-2-yl)-3-sulfanylpropanamide
PubChem CID107769834
Molecular FormulaC12H21N3O4S
Molecular Weight303.38 g/mol
Exact Mass303.13
IUPAC Name2-acetamido-N-(1-morpholin-4-yl-1-oxopropan-2-yl)-3-sulfanylpropanamide
SMILESCC(=O)NC(CS)C(=O)NC(C)C(=O)N1CCOCC1
InChIInChI=1S/C12H21N3O4S/c1-8(12(18)15-3-5-19-6-4-15)13-11(17)10(7-20)14-9(2)16/h8,10,20H,3-7H2,1-2H3,(H,13,17)(H,14,16)
InChIKeyGRGAYWBFQLXIFW-UHFFFAOYSA-N
XLogP-1.22
TPSA87.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 5-1.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(1-morpholin-4-yl-1-oxopropan-2-yl)-3-sulfanylpropanamide?
The IUPAC name of 2-acetamido-N-(1-morpholin-4-yl-1-oxopropan-2-yl)-3-sulfanylpropanamide (CID 107769834) is 2-acetamido-N-(1-morpholin-4-yl-1-oxopropan-2-yl)-3-sulfanylpropanamide.
What is the SMILES notation for 2-acetamido-N-(1-morpholin-4-yl-1-oxopropan-2-yl)-3-sulfanylpropanamide?
The canonical SMILES for 2-acetamido-N-(1-morpholin-4-yl-1-oxopropan-2-yl)-3-sulfanylpropanamide is CC(=O)NC(CS)C(=O)NC(C)C(=O)N1CCOCC1.
What is the InChIKey of 2-acetamido-N-(1-morpholin-4-yl-1-oxopropan-2-yl)-3-sulfanylpropanamide?
The InChIKey is GRGAYWBFQLXIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4S/c1-8(12(18)15-3-5-19-6-4-15)13-11(17)10(7-20)14-9(2)16/h8,10,20H,3-7H2,1-2H3,(H,13,17)(H,14,16).
What are the key properties of 2-acetamido-N-(1-morpholin-4-yl-1-oxopropan-2-yl)-3-sulfanylpropanamide?
2-acetamido-N-(1-morpholin-4-yl-1-oxopropan-2-yl)-3-sulfanylpropanamide has a molecular weight of 303.38 g/mol, XLogP of -1.22, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(1-morpholin-4-yl-1-oxopropan-2-yl)-3-sulfanylpropanamide is sourced from PubChem (CID 107769834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).