2-(1,1-dioxothiolan-3-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide

C14H26N2O4S — CID 86908004

IUPAC2-(1,1-dioxothiolan-3-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
SMILESCC(C)(CNC(=O)CC1CCS(=O)(=O)C1)N1CCOCC1
InChIInChI=1S/C14H26N2O4S/c1-14(2,16-4-6-20-7-5-16)11-15-13(17)9-12-3-8-21(18,19)10-12/h12H,3-11H2,1-2H3,(H,15,17)
InChIKeyUZYAMLDEZGOWDP-UHFFFAOYSA-N
MW318.44 g/mol
LogP0.04
Rot. Bonds5

About 2-(1,1-dioxothiolan-3-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide

2-(1,1-dioxothiolan-3-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide (PubChem CID 86908004) has the molecular formula C14H26N2O4S and a molecular weight of 318.44 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
PubChem CID86908004
Molecular FormulaC14H26N2O4S
Molecular Weight318.44 g/mol
Exact Mass318.16
IUPAC Name2-(1,1-dioxothiolan-3-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
SMILESCC(C)(CNC(=O)CC1CCS(=O)(=O)C1)N1CCOCC1
InChIInChI=1S/C14H26N2O4S/c1-14(2,16-4-6-20-7-5-16)11-15-13(17)9-12-3-8-21(18,19)10-12/h12H,3-11H2,1-2H3,(H,15,17)
InChIKeyUZYAMLDEZGOWDP-UHFFFAOYSA-N
XLogP0.04
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3S)-1,1-dioxothiolan-3-yl]-1-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)urea
CID 94175349
2-(1,1-dioxothiolan-3-yl)-N-(2-ethyl-2-hydroxybutyl)acetamide
CID 65114161
2-(1,1-dioxothiolan-3-yl)-N-(2-hydroxy-2-methylpentyl)acetamide
CID 113240352
2-(ethylamino)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 60685788
3-[(2-methyl-2-morpholin-4-ylpropyl)amino]-3-oxopropanoic acid
CID 55049600
1-[(1,1-dioxothiolan-3-yl)methyl]-2-methyl-3-(2-methyl-2-piperidin-1-ylpropyl)guanidine
CID 111321360
2-(1-aminocyclohexyl)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 64679417
5-hydroxy-N-(2-methyl-2-morpholin-4-ylpropyl)pentanamide
CID 79193032
2-[[2-(1,1-dioxothiolan-3-yl)acetyl]amino]-2-methylpropanoic acid
CID 61263031
5-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)pentanamide
CID 61251075
2,2,2-trifluoro-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 62490413
N-(1-amino-2-methylpropan-2-yl)-2-(1,1-dioxothiolan-3-yl)acetamide
CID 63193390

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-3-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide (CID 86908004) is 2-(1,1-dioxothiolan-3-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide is CC(C)(CNC(=O)CC1CCS(=O)(=O)C1)N1CCOCC1.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide?
The InChIKey is UZYAMLDEZGOWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4S/c1-14(2,16-4-6-20-7-5-16)11-15-13(17)9-12-3-8-21(18,19)10-12/h12H,3-11H2,1-2H3,(H,15,17).
What are the key properties of 2-(1,1-dioxothiolan-3-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide?
2-(1,1-dioxothiolan-3-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide has a molecular weight of 318.44 g/mol, XLogP of 0.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiolan-3-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide is sourced from PubChem (CID 86908004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).