2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide

C13H26N2O4S — CID 78963352

IUPAC2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
SMILESCCN(CC(=O)NC1(C)CCS(=O)(=O)C1)CC(C)(C)O
InChIInChI=1S/C13H26N2O4S/c1-5-15(9-12(2,3)17)8-11(16)14-13(4)6-7-20(18,19)10-13/h17H,5-10H2,1-4H3,(H,14,16)
InChIKeyWKFFRWGUYOOTJB-UHFFFAOYSA-N
MW306.43 g/mol
LogP-0.23
Rot. Bonds6

About 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide

2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide (PubChem CID 78963352) has the molecular formula C13H26N2O4S and a molecular weight of 306.43 g/mol. Its IUPAC name is 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide.

Molecular Properties

Compound Name2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
PubChem CID78963352
Molecular FormulaC13H26N2O4S
Molecular Weight306.43 g/mol
Exact Mass306.16
IUPAC Name2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
SMILESCCN(CC(=O)NC1(C)CCS(=O)(=O)C1)CC(C)(C)O
InChIInChI=1S/C13H26N2O4S/c1-5-15(9-12(2,3)17)8-11(16)14-13(4)6-7-20(18,19)10-13/h17H,5-10H2,1-4H3,(H,14,16)
InChIKeyWKFFRWGUYOOTJB-UHFFFAOYSA-N
XLogP-0.23
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 16768977
2-(dibenzylamino)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 78761765
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-methylacetamide
CID 79390515
3,3,3-trifluoro-N-(3-methyl-1,1-dioxothiolan-3-yl)propanamide
CID 146124342
3-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)propanamide
CID 43697281
2-[[2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid
CID 60839849
2-[(4-aminocyclohexyl)-methylamino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 79112855
2-[3-aminopropyl(methyl)amino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 81492930
5-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-5-oxopentanoic acid
CID 60940763
5-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)pentanamide
CID 43697288
2-(1-aminocyclopentyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 64685407
2-[cyclopropyl-[[(3R)-oxolan-3-yl]methyl]amino]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
CID 98720488

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide?
The IUPAC name of 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide (CID 78963352) is 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide.
What is the SMILES notation for 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide?
The canonical SMILES for 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide is CCN(CC(=O)NC1(C)CCS(=O)(=O)C1)CC(C)(C)O.
What is the InChIKey of 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide?
The InChIKey is WKFFRWGUYOOTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4S/c1-5-15(9-12(2,3)17)8-11(16)14-13(4)6-7-20(18,19)10-13/h17H,5-10H2,1-4H3,(H,14,16).
What are the key properties of 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide?
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide has a molecular weight of 306.43 g/mol, XLogP of -0.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide is sourced from PubChem (CID 78963352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).