N-methyl-1,1-dioxo-N-(1,1,1-trifluoropropan-2-yl)thiane-4-carboxamide

C10H16F3NO3S — CID 167302908

IUPACN-methyl-1,1-dioxo-N-(1,1,1-trifluoropropan-2-yl)thiane-4-carboxamide
SMILESCC(N(C)C(=O)C1CCS(=O)(=O)CC1)C(F)(F)F
InChIInChI=1S/C10H16F3NO3S/c1-7(10(11,12)13)14(2)9(15)8-3-5-18(16,17)6-4-8/h7-8H,3-6H2,1-2H3
InChIKeyIMOIWOWIWRQMOO-UHFFFAOYSA-N
MW287.30 g/mol
LogP1.22
Rot. Bonds2

About N-methyl-1,1-dioxo-N-(1,1,1-trifluoropropan-2-yl)thiane-4-carboxamide

N-methyl-1,1-dioxo-N-(1,1,1-trifluoropropan-2-yl)thiane-4-carboxamide (PubChem CID 167302908) has the molecular formula C10H16F3NO3S and a molecular weight of 287.30 g/mol. Its IUPAC name is N-methyl-1,1-dioxo-N-(1,1,1-trifluoropropan-2-yl)thiane-4-carboxamide.

Molecular Properties

Compound NameN-methyl-1,1-dioxo-N-(1,1,1-trifluoropropan-2-yl)thiane-4-carboxamide
PubChem CID167302908
Molecular FormulaC10H16F3NO3S
Molecular Weight287.30 g/mol
Exact Mass287.08
IUPAC NameN-methyl-1,1-dioxo-N-(1,1,1-trifluoropropan-2-yl)thiane-4-carboxamide
SMILESCC(N(C)C(=O)C1CCS(=O)(=O)CC1)C(F)(F)F
InChIInChI=1S/C10H16F3NO3S/c1-7(10(11,12)13)14(2)9(15)8-3-5-18(16,17)6-4-8/h7-8H,3-6H2,1-2H3
InChIKeyIMOIWOWIWRQMOO-UHFFFAOYSA-N
XLogP1.22
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.30
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1,1-dioxo-N-(1,1,1-trifluoropropan-2-yl)thiane-4-carboxamide?
The IUPAC name of N-methyl-1,1-dioxo-N-(1,1,1-trifluoropropan-2-yl)thiane-4-carboxamide (CID 167302908) is N-methyl-1,1-dioxo-N-(1,1,1-trifluoropropan-2-yl)thiane-4-carboxamide.
What is the SMILES notation for N-methyl-1,1-dioxo-N-(1,1,1-trifluoropropan-2-yl)thiane-4-carboxamide?
The canonical SMILES for N-methyl-1,1-dioxo-N-(1,1,1-trifluoropropan-2-yl)thiane-4-carboxamide is CC(N(C)C(=O)C1CCS(=O)(=O)CC1)C(F)(F)F.
What is the InChIKey of N-methyl-1,1-dioxo-N-(1,1,1-trifluoropropan-2-yl)thiane-4-carboxamide?
The InChIKey is IMOIWOWIWRQMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3S/c1-7(10(11,12)13)14(2)9(15)8-3-5-18(16,17)6-4-8/h7-8H,3-6H2,1-2H3.
What are the key properties of N-methyl-1,1-dioxo-N-(1,1,1-trifluoropropan-2-yl)thiane-4-carboxamide?
N-methyl-1,1-dioxo-N-(1,1,1-trifluoropropan-2-yl)thiane-4-carboxamide has a molecular weight of 287.30 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1,1-dioxo-N-(1,1,1-trifluoropropan-2-yl)thiane-4-carboxamide is sourced from PubChem (CID 167302908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).