N-[2-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide

C10H19F2N3O3S — CID 49070412

IUPACN-[2-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
SMILESCN(CC(=O)N1CCN(CC(F)F)CC1)S(C)(=O)=O
InChIInChI=1S/C10H19F2N3O3S/c1-13(19(2,17)18)8-10(16)15-5-3-14(4-6-15)7-9(11)12/h9H,3-8H2,1-2H3
InChIKeyRISUSHAJICHTKE-UHFFFAOYSA-N
MW299.34 g/mol
LogP-0.71
Rot. Bonds5

About N-[2-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide

N-[2-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide (PubChem CID 49070412) has the molecular formula C10H19F2N3O3S and a molecular weight of 299.34 g/mol. Its IUPAC name is N-[2-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
PubChem CID49070412
Molecular FormulaC10H19F2N3O3S
Molecular Weight299.34 g/mol
Exact Mass299.11
IUPAC NameN-[2-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
SMILESCN(CC(=O)N1CCN(CC(F)F)CC1)S(C)(=O)=O
InChIInChI=1S/C10H19F2N3O3S/c1-13(19(2,17)18)8-10(16)15-5-3-14(4-6-15)7-9(11)12/h9H,3-8H2,1-2H3
InChIKeyRISUSHAJICHTKE-UHFFFAOYSA-N
XLogP-0.71
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 5-0.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[2-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide (CID 49070412) is N-[2-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[2-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[2-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide is CN(CC(=O)N1CCN(CC(F)F)CC1)S(C)(=O)=O.
What is the InChIKey of N-[2-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide?
The InChIKey is RISUSHAJICHTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2N3O3S/c1-13(19(2,17)18)8-10(16)15-5-3-14(4-6-15)7-9(11)12/h9H,3-8H2,1-2H3.
What are the key properties of N-[2-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide?
N-[2-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide has a molecular weight of 299.34 g/mol, XLogP of -0.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 49070412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).