N-(1,1-dioxothian-3-yl)-2-morpholin-2-ylacetamide

C11H20N2O4S — CID 66428117

IUPACN-(1,1-dioxothian-3-yl)-2-morpholin-2-ylacetamide
SMILESO=C(CC1CNCCO1)NC1CCCS(=O)(=O)C1
InChIInChI=1S/C11H20N2O4S/c14-11(6-10-7-12-3-4-17-10)13-9-2-1-5-18(15,16)8-9/h9-10,12H,1-8H2,(H,13,14)
InChIKeyXWBIRPXFRPFERW-UHFFFAOYSA-N
MW276.36 g/mol
LogP-0.94
Rot. Bonds3

About N-(1,1-dioxothian-3-yl)-2-morpholin-2-ylacetamide

N-(1,1-dioxothian-3-yl)-2-morpholin-2-ylacetamide (PubChem CID 66428117) has the molecular formula C11H20N2O4S and a molecular weight of 276.36 g/mol. Its IUPAC name is N-(1,1-dioxothian-3-yl)-2-morpholin-2-ylacetamide.

Molecular Properties

Compound NameN-(1,1-dioxothian-3-yl)-2-morpholin-2-ylacetamide
PubChem CID66428117
Molecular FormulaC11H20N2O4S
Molecular Weight276.36 g/mol
Exact Mass276.11
IUPAC NameN-(1,1-dioxothian-3-yl)-2-morpholin-2-ylacetamide
SMILESO=C(CC1CNCCO1)NC1CCCS(=O)(=O)C1
InChIInChI=1S/C11H20N2O4S/c14-11(6-10-7-12-3-4-17-10)13-9-2-1-5-18(15,16)8-9/h9-10,12H,1-8H2,(H,13,14)
InChIKeyXWBIRPXFRPFERW-UHFFFAOYSA-N
XLogP-0.94
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cycloheptyl-2-morpholin-2-ylacetamide
CID 66434351
3-[(2-morpholin-2-ylacetyl)amino]cyclopentane-1-carboxylic acid
CID 66426425
N-(4-methylsulfanylcyclohexyl)-2-morpholin-2-ylacetamide
CID 114123058
N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-morpholin-2-ylacetamide
CID 66426636
2-morpholin-2-ylacetohydrazide
CID 66428542
N-(1-methylcyclopentyl)-2-morpholin-2-ylacetamide;hydrochloride
CID 119736538
N-(2,3-dimethylcyclohexyl)-2-morpholin-2-ylacetamide
CID 66434535
N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-morpholin-2-ylacetamide;hydrochloride
CID 119691463
N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-2-morpholin-2-ylacetamide
CID 66433971
N-(2-aminocyclopropyl)-2-morpholin-2-ylacetamide;hydrochloride
CID 130943881
N-(2,2-dimethylcyclopropyl)-2-morpholin-2-ylacetamide
CID 66427680
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1,1-dioxothian-3-yl)acetamide;hydrochloride
CID 119784481

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothian-3-yl)-2-morpholin-2-ylacetamide?
The IUPAC name of N-(1,1-dioxothian-3-yl)-2-morpholin-2-ylacetamide (CID 66428117) is N-(1,1-dioxothian-3-yl)-2-morpholin-2-ylacetamide.
What is the SMILES notation for N-(1,1-dioxothian-3-yl)-2-morpholin-2-ylacetamide?
The canonical SMILES for N-(1,1-dioxothian-3-yl)-2-morpholin-2-ylacetamide is O=C(CC1CNCCO1)NC1CCCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothian-3-yl)-2-morpholin-2-ylacetamide?
The InChIKey is XWBIRPXFRPFERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4S/c14-11(6-10-7-12-3-4-17-10)13-9-2-1-5-18(15,16)8-9/h9-10,12H,1-8H2,(H,13,14).
What are the key properties of N-(1,1-dioxothian-3-yl)-2-morpholin-2-ylacetamide?
N-(1,1-dioxothian-3-yl)-2-morpholin-2-ylacetamide has a molecular weight of 276.36 g/mol, XLogP of -0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothian-3-yl)-2-morpholin-2-ylacetamide is sourced from PubChem (CID 66428117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).