N-(2,2-difluoro-3-hydroxypropyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide

C9H16F2N2O4S — CID 114154213

IUPACN-(2,2-difluoro-3-hydroxypropyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
SMILESO=C(CC1CS(=O)(=O)CCN1)NCC(F)(F)CO
InChIInChI=1S/C9H16F2N2O4S/c10-9(11,6-14)5-13-8(15)3-7-4-18(16,17)2-1-12-7/h7,12,14H,1-6H2,(H,13,15)
InChIKeyOAEFXHVTCJUQJX-UHFFFAOYSA-N
MW286.30 g/mol
LogP-1.49
Rot. Bonds5

About N-(2,2-difluoro-3-hydroxypropyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide

N-(2,2-difluoro-3-hydroxypropyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide (PubChem CID 114154213) has the molecular formula C9H16F2N2O4S and a molecular weight of 286.30 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
PubChem CID114154213
Molecular FormulaC9H16F2N2O4S
Molecular Weight286.30 g/mol
Exact Mass286.08
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
SMILESO=C(CC1CS(=O)(=O)CCN1)NCC(F)(F)CO
InChIInChI=1S/C9H16F2N2O4S/c10-9(11,6-14)5-13-8(15)3-7-4-18(16,17)2-1-12-7/h7,12,14H,1-6H2,(H,13,15)
InChIKeyOAEFXHVTCJUQJX-UHFFFAOYSA-N
XLogP-1.49
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 5-1.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide (CID 114154213) is N-(2,2-difluoro-3-hydroxypropyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide is O=C(CC1CS(=O)(=O)CCN1)NCC(F)(F)CO.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide?
The InChIKey is OAEFXHVTCJUQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2O4S/c10-9(11,6-14)5-13-8(15)3-7-4-18(16,17)2-1-12-7/h7,12,14H,1-6H2,(H,13,15).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide?
N-(2,2-difluoro-3-hydroxypropyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide has a molecular weight of 286.30 g/mol, XLogP of -1.49, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide is sourced from PubChem (CID 114154213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).