N-(2,2-difluoroethyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-hydroxyethyl)acetamide

C10H18F2N2O4S — CID 107479487

IUPACN-(2,2-difluoroethyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-hydroxyethyl)acetamide
SMILESO=C(CC1CS(=O)(=O)CCN1)N(CCO)CC(F)F
InChIInChI=1S/C10H18F2N2O4S/c11-9(12)6-14(2-3-15)10(16)5-8-7-19(17,18)4-1-13-8/h8-9,13,15H,1-7H2
InChIKeyIETDDOYYDOMZPT-UHFFFAOYSA-N
MW300.33 g/mol
LogP-1.15
Rot. Bonds6

About N-(2,2-difluoroethyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-hydroxyethyl)acetamide

N-(2,2-difluoroethyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-hydroxyethyl)acetamide (PubChem CID 107479487) has the molecular formula C10H18F2N2O4S and a molecular weight of 300.33 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-hydroxyethyl)acetamide
PubChem CID107479487
Molecular FormulaC10H18F2N2O4S
Molecular Weight300.33 g/mol
Exact Mass300.10
IUPAC NameN-(2,2-difluoroethyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-hydroxyethyl)acetamide
SMILESO=C(CC1CS(=O)(=O)CCN1)N(CCO)CC(F)F
InChIInChI=1S/C10H18F2N2O4S/c11-9(12)6-14(2-3-15)10(16)5-8-7-19(17,18)4-1-13-8/h8-9,13,15H,1-7H2
InChIKeyIETDDOYYDOMZPT-UHFFFAOYSA-N
XLogP-1.15
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 5-1.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-hydroxyethyl)acetamide?
The IUPAC name of N-(2,2-difluoroethyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-hydroxyethyl)acetamide (CID 107479487) is N-(2,2-difluoroethyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for N-(2,2-difluoroethyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-hydroxyethyl)acetamide is O=C(CC1CS(=O)(=O)CCN1)N(CCO)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-hydroxyethyl)acetamide?
The InChIKey is IETDDOYYDOMZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2O4S/c11-9(12)6-14(2-3-15)10(16)5-8-7-19(17,18)4-1-13-8/h8-9,13,15H,1-7H2.
What are the key properties of N-(2,2-difluoroethyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-hydroxyethyl)acetamide?
N-(2,2-difluoroethyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-hydroxyethyl)acetamide has a molecular weight of 300.33 g/mol, XLogP of -1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 107479487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).