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

C10H20N2O3S — CID 43649171

IUPAC2-(1,1-dioxothiolan-3-yl)-N-[3-(methylamino)propyl]acetamide
SMILESCNCCCNC(=O)CC1CCS(=O)(=O)C1
InChIInChI=1S/C10H20N2O3S/c1-11-4-2-5-12-10(13)7-9-3-6-16(14,15)8-9/h9,11H,2-8H2,1H3,(H,12,13)
InChIKeyQJJURCDCJSMFQG-UHFFFAOYSA-N
MW248.35 g/mol
LogP-0.46
Rot. Bonds6

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

2-(1,1-dioxothiolan-3-yl)-N-[3-(methylamino)propyl]acetamide (PubChem CID 43649171) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)-N-[3-(methylamino)propyl]acetamide.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)-N-[3-(methylamino)propyl]acetamide
PubChem CID43649171
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC Name2-(1,1-dioxothiolan-3-yl)-N-[3-(methylamino)propyl]acetamide
SMILESCNCCCNC(=O)CC1CCS(=O)(=O)C1
InChIInChI=1S/C10H20N2O3S/c1-11-4-2-5-12-10(13)7-9-3-6-16(14,15)8-9/h9,11H,2-8H2,1H3,(H,12,13)
InChIKeyQJJURCDCJSMFQG-UHFFFAOYSA-N
XLogP-0.46
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 5-0.46
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-(methylamino)propyl]acetamide?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)-N-[3-(methylamino)propyl]acetamide (CID 43649171) is 2-(1,1-dioxothiolan-3-yl)-N-[3-(methylamino)propyl]acetamide.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)-N-[3-(methylamino)propyl]acetamide?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)-N-[3-(methylamino)propyl]acetamide is CNCCCNC(=O)CC1CCS(=O)(=O)C1.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)-N-[3-(methylamino)propyl]acetamide?
The InChIKey is QJJURCDCJSMFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-11-4-2-5-12-10(13)7-9-3-6-16(14,15)8-9/h9,11H,2-8H2,1H3,(H,12,13).
What are the key properties of 2-(1,1-dioxothiolan-3-yl)-N-[3-(methylamino)propyl]acetamide?
2-(1,1-dioxothiolan-3-yl)-N-[3-(methylamino)propyl]acetamide has a molecular weight of 248.35 g/mol, XLogP of -0.46, 6 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-(methylamino)propyl]acetamide is sourced from PubChem (CID 43649171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).