N-[2-(1,1-dioxothiazinan-2-yl)ethyl]acetamide

C8H16N2O3S — CID 110720873

IUPACN-[2-(1,1-dioxothiazinan-2-yl)ethyl]acetamide
SMILESCC(=O)NCCN1CCCCS1(=O)=O
InChIInChI=1S/C8H16N2O3S/c1-8(11)9-4-6-10-5-2-3-7-14(10,12)13/h2-7H2,1H3,(H,9,11)
InChIKeyFVCPPGZSTOCCPY-UHFFFAOYSA-N
MW220.29 g/mol
LogP-0.45
Rot. Bonds3

About N-[2-(1,1-dioxothiazinan-2-yl)ethyl]acetamide

N-[2-(1,1-dioxothiazinan-2-yl)ethyl]acetamide (PubChem CID 110720873) has the molecular formula C8H16N2O3S and a molecular weight of 220.29 g/mol. Its IUPAC name is N-[2-(1,1-dioxothiazinan-2-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(1,1-dioxothiazinan-2-yl)ethyl]acetamide
PubChem CID110720873
Molecular FormulaC8H16N2O3S
Molecular Weight220.29 g/mol
Exact Mass220.09
IUPAC NameN-[2-(1,1-dioxothiazinan-2-yl)ethyl]acetamide
SMILESCC(=O)NCCN1CCCCS1(=O)=O
InChIInChI=1S/C8H16N2O3S/c1-8(11)9-4-6-10-5-2-3-7-14(10,12)13/h2-7H2,1H3,(H,9,11)
InChIKeyFVCPPGZSTOCCPY-UHFFFAOYSA-N
XLogP-0.45
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,1-dioxothiazinan-2-yl)ethyl]acetamide?
The IUPAC name of N-[2-(1,1-dioxothiazinan-2-yl)ethyl]acetamide (CID 110720873) is N-[2-(1,1-dioxothiazinan-2-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(1,1-dioxothiazinan-2-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(1,1-dioxothiazinan-2-yl)ethyl]acetamide is CC(=O)NCCN1CCCCS1(=O)=O.
What is the InChIKey of N-[2-(1,1-dioxothiazinan-2-yl)ethyl]acetamide?
The InChIKey is FVCPPGZSTOCCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3S/c1-8(11)9-4-6-10-5-2-3-7-14(10,12)13/h2-7H2,1H3,(H,9,11).
What are the key properties of N-[2-(1,1-dioxothiazinan-2-yl)ethyl]acetamide?
N-[2-(1,1-dioxothiazinan-2-yl)ethyl]acetamide has a molecular weight of 220.29 g/mol, XLogP of -0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,1-dioxothiazinan-2-yl)ethyl]acetamide is sourced from PubChem (CID 110720873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).