2-tert-butylsulfanyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)acetamide

C13H24N2O3S — CID 60600164

IUPAC2-tert-butylsulfanyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)acetamide
SMILESCC(NC(=O)CSC(C)(C)C)C(=O)N1CCOCC1
InChIInChI=1S/C13H24N2O3S/c1-10(12(17)15-5-7-18-8-6-15)14-11(16)9-19-13(2,3)4/h10H,5-9H2,1-4H3,(H,14,16)
InChIKeyTXIVIKCGLSWWEY-UHFFFAOYSA-N
MW288.41 g/mol
LogP0.88
Rot. Bonds4

About 2-tert-butylsulfanyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)acetamide

2-tert-butylsulfanyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)acetamide (PubChem CID 60600164) has the molecular formula C13H24N2O3S and a molecular weight of 288.41 g/mol. Its IUPAC name is 2-tert-butylsulfanyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)acetamide.

Molecular Properties

Compound Name2-tert-butylsulfanyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)acetamide
PubChem CID60600164
Molecular FormulaC13H24N2O3S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC Name2-tert-butylsulfanyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)acetamide
SMILESCC(NC(=O)CSC(C)(C)C)C(=O)N1CCOCC1
InChIInChI=1S/C13H24N2O3S/c1-10(12(17)15-5-7-18-8-6-15)14-11(16)9-19-13(2,3)4/h10H,5-9H2,1-4H3,(H,14,16)
InChIKeyTXIVIKCGLSWWEY-UHFFFAOYSA-N
XLogP0.88
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfanyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)acetamide?
The IUPAC name of 2-tert-butylsulfanyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)acetamide (CID 60600164) is 2-tert-butylsulfanyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)acetamide.
What is the SMILES notation for 2-tert-butylsulfanyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)acetamide?
The canonical SMILES for 2-tert-butylsulfanyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)acetamide is CC(NC(=O)CSC(C)(C)C)C(=O)N1CCOCC1.
What is the InChIKey of 2-tert-butylsulfanyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)acetamide?
The InChIKey is TXIVIKCGLSWWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S/c1-10(12(17)15-5-7-18-8-6-15)14-11(16)9-19-13(2,3)4/h10H,5-9H2,1-4H3,(H,14,16).
What are the key properties of 2-tert-butylsulfanyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)acetamide?
2-tert-butylsulfanyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)acetamide has a molecular weight of 288.41 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfanyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)acetamide is sourced from PubChem (CID 60600164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).