N-(1,1-dioxothiolan-3-yl)-2-ethoxyacetamide;molecular hydrogen;propane

C11H25NO4S — CID 164909794

IUPACN-(1,1-dioxothiolan-3-yl)-2-ethoxyacetamide;molecular hydrogen;propane
SMILESCCC.CCOCC(=O)NC1CCS(=O)(=O)C1.[H][H]
InChIInChI=1S/C8H15NO4S.C3H8.H2/c1-2-13-5-8(10)9-7-3-4-14(11,12)6-7;1-3-2;/h7H,2-6H2,1H3,(H,9,10);3H2,1-2H3;1H
InChIKeyCREUHDKBFAQDHU-UHFFFAOYSA-N
MW267.39 g/mol
LogP0.99
Rot. Bonds4

About N-(1,1-dioxothiolan-3-yl)-2-ethoxyacetamide;molecular hydrogen;propane

N-(1,1-dioxothiolan-3-yl)-2-ethoxyacetamide;molecular hydrogen;propane (PubChem CID 164909794) has the molecular formula C11H25NO4S and a molecular weight of 267.39 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-ethoxyacetamide;molecular hydrogen;propane.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-ethoxyacetamide;molecular hydrogen;propane
PubChem CID164909794
Molecular FormulaC11H25NO4S
Molecular Weight267.39 g/mol
Exact Mass267.15
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-ethoxyacetamide;molecular hydrogen;propane
SMILESCCC.CCOCC(=O)NC1CCS(=O)(=O)C1.[H][H]
InChIInChI=1S/C8H15NO4S.C3H8.H2/c1-2-13-5-8(10)9-7-3-4-14(11,12)6-7;1-3-2;/h7H,2-6H2,1H3,(H,9,10);3H2,1-2H3;1H
InChIKeyCREUHDKBFAQDHU-UHFFFAOYSA-N
XLogP0.99
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,1-dioxothiolan-3-yl)butanamide
CID 18573523
[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 3-methylbut-2-enoate
CID 8759697
N-(1,1-dioxothian-4-yl)-2-(2-methoxyethoxy)acetamide
CID 103719047
N-cyclohexyl-2-ethoxyacetamide
CID 4141421
N-[(3S)-1,1-dioxothiolan-3-yl]-2-iodoacetamide
CID 9196310
2-(3,5-dimethylphenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 41099474
N-(1,1-dioxothiolan-3-yl)-2-[2-(1,1-dioxothiolan-3-yl)hydrazinyl]acetamide
CID 18801502
6-[(1,1-dioxothiolan-3-yl)amino]-6-oxohexanoic acid
CID 43529555
N-(1,1-dioxothiolan-3-yl)-3-(ethylamino)propanamide
CID 62831905
N-(1-cyclopropylpiperidin-4-yl)-2-ethoxyacetamide
CID 60730874
[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 3,4,5-triethoxybenzoate
CID 3326955
methyl N-(1,1-dioxothiolan-3-yl)carbamate
CID 2999519

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-ethoxyacetamide;molecular hydrogen;propane?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-ethoxyacetamide;molecular hydrogen;propane (CID 164909794) is N-(1,1-dioxothiolan-3-yl)-2-ethoxyacetamide;molecular hydrogen;propane.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-ethoxyacetamide;molecular hydrogen;propane?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-ethoxyacetamide;molecular hydrogen;propane is CCC.CCOCC(=O)NC1CCS(=O)(=O)C1.[H][H].
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-ethoxyacetamide;molecular hydrogen;propane?
The InChIKey is CREUHDKBFAQDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4S.C3H8.H2/c1-2-13-5-8(10)9-7-3-4-14(11,12)6-7;1-3-2;/h7H,2-6H2,1H3,(H,9,10);3H2,1-2H3;1H.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-ethoxyacetamide;molecular hydrogen;propane?
N-(1,1-dioxothiolan-3-yl)-2-ethoxyacetamide;molecular hydrogen;propane has a molecular weight of 267.39 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2-ethoxyacetamide;molecular hydrogen;propane is sourced from PubChem (CID 164909794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).