2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(3,3,3-trifluoropropyl)acetamide

C10H17F3N2O3S — CID 80520832

IUPAC2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(3,3,3-trifluoropropyl)acetamide
SMILESCN(CCC(F)(F)F)C(=O)CC1CS(=O)(=O)CCN1
InChIInChI=1S/C10H17F3N2O3S/c1-15(4-2-10(11,12)13)9(16)6-8-7-19(17,18)5-3-14-8/h8,14H,2-7H2,1H3
InChIKeyOBVCIKDDGRSWLV-UHFFFAOYSA-N
MW302.32 g/mol
LogP0.17
Rot. Bonds4

About 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(3,3,3-trifluoropropyl)acetamide

2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(3,3,3-trifluoropropyl)acetamide (PubChem CID 80520832) has the molecular formula C10H17F3N2O3S and a molecular weight of 302.32 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(3,3,3-trifluoropropyl)acetamide.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(3,3,3-trifluoropropyl)acetamide
PubChem CID80520832
Molecular FormulaC10H17F3N2O3S
Molecular Weight302.32 g/mol
Exact Mass302.09
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(3,3,3-trifluoropropyl)acetamide
SMILESCN(CCC(F)(F)F)C(=O)CC1CS(=O)(=O)CCN1
InChIInChI=1S/C10H17F3N2O3S/c1-15(4-2-10(11,12)13)9(16)6-8-7-19(17,18)5-3-14-8/h8,14H,2-7H2,1H3
InChIKeyOBVCIKDDGRSWLV-UHFFFAOYSA-N
XLogP0.17
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(3,3,3-trifluoropropyl)acetamide?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(3,3,3-trifluoropropyl)acetamide (CID 80520832) is 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(3,3,3-trifluoropropyl)acetamide.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(3,3,3-trifluoropropyl)acetamide?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(3,3,3-trifluoropropyl)acetamide is CN(CCC(F)(F)F)C(=O)CC1CS(=O)(=O)CCN1.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(3,3,3-trifluoropropyl)acetamide?
The InChIKey is OBVCIKDDGRSWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O3S/c1-15(4-2-10(11,12)13)9(16)6-8-7-19(17,18)5-3-14-8/h8,14H,2-7H2,1H3.
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(3,3,3-trifluoropropyl)acetamide?
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(3,3,3-trifluoropropyl)acetamide has a molecular weight of 302.32 g/mol, XLogP of 0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(3,3,3-trifluoropropyl)acetamide is sourced from PubChem (CID 80520832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).