N-(1,1-dioxothiolan-3-yl)-2-(ethylamino)acetamide

C8H16N2O3S — CID 3682000

IUPACN-(1,1-dioxothiolan-3-yl)-2-(ethylamino)acetamide
SMILESCCNCC(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C8H16N2O3S/c1-2-9-5-8(11)10-7-3-4-14(12,13)6-7/h7,9H,2-6H2,1H3,(H,10,11)
InChIKeyTXGWBRSRHSHSIX-UHFFFAOYSA-N
MW220.29 g/mol
LogP-1.10
Rot. Bonds4

About N-(1,1-dioxothiolan-3-yl)-2-(ethylamino)acetamide

N-(1,1-dioxothiolan-3-yl)-2-(ethylamino)acetamide (PubChem CID 3682000) has the molecular formula C8H16N2O3S and a molecular weight of 220.29 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-(ethylamino)acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-(ethylamino)acetamide
PubChem CID3682000
Molecular FormulaC8H16N2O3S
Molecular Weight220.29 g/mol
Exact Mass220.09
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-(ethylamino)acetamide
SMILESCCNCC(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C8H16N2O3S/c1-2-9-5-8(11)10-7-3-4-14(12,13)6-7/h7,9H,2-6H2,1H3,(H,10,11)
InChIKeyTXGWBRSRHSHSIX-UHFFFAOYSA-N
XLogP-1.10
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 5-1.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(ethylamino)acetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(ethylamino)acetamide (CID 3682000) is N-(1,1-dioxothiolan-3-yl)-2-(ethylamino)acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-(ethylamino)acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-(ethylamino)acetamide is CCNCC(=O)NC1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-(ethylamino)acetamide?
The InChIKey is TXGWBRSRHSHSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3S/c1-2-9-5-8(11)10-7-3-4-14(12,13)6-7/h7,9H,2-6H2,1H3,(H,10,11).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-(ethylamino)acetamide?
N-(1,1-dioxothiolan-3-yl)-2-(ethylamino)acetamide has a molecular weight of 220.29 g/mol, XLogP of -1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2-(ethylamino)acetamide is sourced from PubChem (CID 3682000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).