N-(2,2-difluoroethyl)-N-methyl-2-piperidin-4-ylsulfanylacetamide

C10H18F2N2OS — CID 114628097

IUPACN-(2,2-difluoroethyl)-N-methyl-2-piperidin-4-ylsulfanylacetamide
SMILESCN(CC(F)F)C(=O)CSC1CCNCC1
InChIInChI=1S/C10H18F2N2OS/c1-14(6-9(11)12)10(15)7-16-8-2-4-13-5-3-8/h8-9,13H,2-7H2,1H3
InChIKeyNSTZLJKWHKSALX-UHFFFAOYSA-N
MW252.33 g/mol
LogP1.20
Rot. Bonds5

About N-(2,2-difluoroethyl)-N-methyl-2-piperidin-4-ylsulfanylacetamide

N-(2,2-difluoroethyl)-N-methyl-2-piperidin-4-ylsulfanylacetamide (PubChem CID 114628097) has the molecular formula C10H18F2N2OS and a molecular weight of 252.33 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-methyl-2-piperidin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-methyl-2-piperidin-4-ylsulfanylacetamide
PubChem CID114628097
Molecular FormulaC10H18F2N2OS
Molecular Weight252.33 g/mol
Exact Mass252.11
IUPAC NameN-(2,2-difluoroethyl)-N-methyl-2-piperidin-4-ylsulfanylacetamide
SMILESCN(CC(F)F)C(=O)CSC1CCNCC1
InChIInChI=1S/C10H18F2N2OS/c1-14(6-9(11)12)10(15)7-16-8-2-4-13-5-3-8/h8-9,13H,2-7H2,1H3
InChIKeyNSTZLJKWHKSALX-UHFFFAOYSA-N
XLogP1.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-methyl-2-piperidin-4-ylsulfanylacetamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-methyl-2-piperidin-4-ylsulfanylacetamide (CID 114628097) is N-(2,2-difluoroethyl)-N-methyl-2-piperidin-4-ylsulfanylacetamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-methyl-2-piperidin-4-ylsulfanylacetamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-methyl-2-piperidin-4-ylsulfanylacetamide is CN(CC(F)F)C(=O)CSC1CCNCC1.
What is the InChIKey of N-(2,2-difluoroethyl)-N-methyl-2-piperidin-4-ylsulfanylacetamide?
The InChIKey is NSTZLJKWHKSALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2OS/c1-14(6-9(11)12)10(15)7-16-8-2-4-13-5-3-8/h8-9,13H,2-7H2,1H3.
What are the key properties of N-(2,2-difluoroethyl)-N-methyl-2-piperidin-4-ylsulfanylacetamide?
N-(2,2-difluoroethyl)-N-methyl-2-piperidin-4-ylsulfanylacetamide has a molecular weight of 252.33 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-methyl-2-piperidin-4-ylsulfanylacetamide is sourced from PubChem (CID 114628097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).