2-(1,1-dioxothiolan-3-yl)-N-(8-tricyclo[5.2.1.02,6]decanyl)acetamide

C16H25NO3S — CID 86931848

IUPAC2-(1,1-dioxothiolan-3-yl)-N-(8-tricyclo[5.2.1.02,6]decanyl)acetamide
SMILESO=C(CC1CCS(=O)(=O)C1)NC1CC2CC1C1CCCC21
InChIInChI=1S/C16H25NO3S/c18-16(6-10-4-5-21(19,20)9-10)17-15-8-11-7-14(15)13-3-1-2-12(11)13/h10-15H,1-9H2,(H,17,18)
InChIKeyPWQBPEABOPUQIH-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.75
Rot. Bonds3

About 2-(1,1-dioxothiolan-3-yl)-N-(8-tricyclo[5.2.1.02,6]decanyl)acetamide

2-(1,1-dioxothiolan-3-yl)-N-(8-tricyclo[5.2.1.02,6]decanyl)acetamide (PubChem CID 86931848) has the molecular formula C16H25NO3S and a molecular weight of 311.45 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)-N-(8-tricyclo[5.2.1.02,6]decanyl)acetamide.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)-N-(8-tricyclo[5.2.1.02,6]decanyl)acetamide
PubChem CID86931848
Molecular FormulaC16H25NO3S
Molecular Weight311.45 g/mol
Exact Mass311.16
IUPAC Name2-(1,1-dioxothiolan-3-yl)-N-(8-tricyclo[5.2.1.02,6]decanyl)acetamide
SMILESO=C(CC1CCS(=O)(=O)C1)NC1CC2CC1C1CCCC21
InChIInChI=1S/C16H25NO3S/c18-16(6-10-4-5-21(19,20)9-10)17-15-8-11-7-14(15)13-3-1-2-12(11)13/h10-15H,1-9H2,(H,17,18)
InChIKeyPWQBPEABOPUQIH-UHFFFAOYSA-N
XLogP1.75
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-3-yl)-N-(8-tricyclo[5.2.1.02,6]decanyl)acetamide?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)-N-(8-tricyclo[5.2.1.02,6]decanyl)acetamide (CID 86931848) is 2-(1,1-dioxothiolan-3-yl)-N-(8-tricyclo[5.2.1.02,6]decanyl)acetamide.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)-N-(8-tricyclo[5.2.1.02,6]decanyl)acetamide?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)-N-(8-tricyclo[5.2.1.02,6]decanyl)acetamide is O=C(CC1CCS(=O)(=O)C1)NC1CC2CC1C1CCCC21.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)-N-(8-tricyclo[5.2.1.02,6]decanyl)acetamide?
The InChIKey is PWQBPEABOPUQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3S/c18-16(6-10-4-5-21(19,20)9-10)17-15-8-11-7-14(15)13-3-1-2-12(11)13/h10-15H,1-9H2,(H,17,18).
What are the key properties of 2-(1,1-dioxothiolan-3-yl)-N-(8-tricyclo[5.2.1.02,6]decanyl)acetamide?
2-(1,1-dioxothiolan-3-yl)-N-(8-tricyclo[5.2.1.02,6]decanyl)acetamide has a molecular weight of 311.45 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiolan-3-yl)-N-(8-tricyclo[5.2.1.02,6]decanyl)acetamide is sourced from PubChem (CID 86931848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).