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

C11H22N2O3S — CID 43649175

IUPAC2-(1,1-dioxothiolan-3-yl)-N-[3-(ethylamino)propyl]acetamide
SMILESCCNCCCNC(=O)CC1CCS(=O)(=O)C1
InChIInChI=1S/C11H22N2O3S/c1-2-12-5-3-6-13-11(14)8-10-4-7-17(15,16)9-10/h10,12H,2-9H2,1H3,(H,13,14)
InChIKeySZCAWPKBIWGAHI-UHFFFAOYSA-N
MW262.37 g/mol
LogP-0.07
Rot. Bonds7

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

2-(1,1-dioxothiolan-3-yl)-N-[3-(ethylamino)propyl]acetamide (PubChem CID 43649175) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)-N-[3-(ethylamino)propyl]acetamide.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)-N-[3-(ethylamino)propyl]acetamide
PubChem CID43649175
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC Name2-(1,1-dioxothiolan-3-yl)-N-[3-(ethylamino)propyl]acetamide
SMILESCCNCCCNC(=O)CC1CCS(=O)(=O)C1
InChIInChI=1S/C11H22N2O3S/c1-2-12-5-3-6-13-11(14)8-10-4-7-17(15,16)9-10/h10,12H,2-9H2,1H3,(H,13,14)
InChIKeySZCAWPKBIWGAHI-UHFFFAOYSA-N
XLogP-0.07
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-3-yl)-N-[3-(ethylamino)propyl]acetamide?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)-N-[3-(ethylamino)propyl]acetamide (CID 43649175) is 2-(1,1-dioxothiolan-3-yl)-N-[3-(ethylamino)propyl]acetamide.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)-N-[3-(ethylamino)propyl]acetamide?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)-N-[3-(ethylamino)propyl]acetamide is CCNCCCNC(=O)CC1CCS(=O)(=O)C1.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)-N-[3-(ethylamino)propyl]acetamide?
The InChIKey is SZCAWPKBIWGAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-2-12-5-3-6-13-11(14)8-10-4-7-17(15,16)9-10/h10,12H,2-9H2,1H3,(H,13,14).
What are the key properties of 2-(1,1-dioxothiolan-3-yl)-N-[3-(ethylamino)propyl]acetamide?
2-(1,1-dioxothiolan-3-yl)-N-[3-(ethylamino)propyl]acetamide has a molecular weight of 262.37 g/mol, XLogP of -0.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiolan-3-yl)-N-[3-(ethylamino)propyl]acetamide is sourced from PubChem (CID 43649175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).