N-[[4-(2,2-difluoroethyl)-1-propan-2-ylpiperazin-2-yl]methyl]methanesulfonamide

C11H23F2N3O2S — CID 118241722

IUPACN-[[4-(2,2-difluoroethyl)-1-propan-2-ylpiperazin-2-yl]methyl]methanesulfonamide
SMILESCC(C)N1CCN(CC(F)F)CC1CNS(C)(=O)=O
InChIInChI=1S/C11H23F2N3O2S/c1-9(2)16-5-4-15(8-11(12)13)7-10(16)6-14-19(3,17)18/h9-11,14H,4-8H2,1-3H3
InChIKeyXRWVRUHIFJMSBK-UHFFFAOYSA-N
MW299.39 g/mol
LogP0.20
Rot. Bonds6

About N-[[4-(2,2-difluoroethyl)-1-propan-2-ylpiperazin-2-yl]methyl]methanesulfonamide

N-[[4-(2,2-difluoroethyl)-1-propan-2-ylpiperazin-2-yl]methyl]methanesulfonamide (PubChem CID 118241722) has the molecular formula C11H23F2N3O2S and a molecular weight of 299.39 g/mol. Its IUPAC name is N-[[4-(2,2-difluoroethyl)-1-propan-2-ylpiperazin-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[4-(2,2-difluoroethyl)-1-propan-2-ylpiperazin-2-yl]methyl]methanesulfonamide
PubChem CID118241722
Molecular FormulaC11H23F2N3O2S
Molecular Weight299.39 g/mol
Exact Mass299.15
IUPAC NameN-[[4-(2,2-difluoroethyl)-1-propan-2-ylpiperazin-2-yl]methyl]methanesulfonamide
SMILESCC(C)N1CCN(CC(F)F)CC1CNS(C)(=O)=O
InChIInChI=1S/C11H23F2N3O2S/c1-9(2)16-5-4-15(8-11(12)13)7-10(16)6-14-19(3,17)18/h9-11,14H,4-8H2,1-3H3
InChIKeyXRWVRUHIFJMSBK-UHFFFAOYSA-N
XLogP0.20
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,2-difluoroethyl)-1-propan-2-ylpiperazin-2-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[4-(2,2-difluoroethyl)-1-propan-2-ylpiperazin-2-yl]methyl]methanesulfonamide (CID 118241722) is N-[[4-(2,2-difluoroethyl)-1-propan-2-ylpiperazin-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[4-(2,2-difluoroethyl)-1-propan-2-ylpiperazin-2-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[4-(2,2-difluoroethyl)-1-propan-2-ylpiperazin-2-yl]methyl]methanesulfonamide is CC(C)N1CCN(CC(F)F)CC1CNS(C)(=O)=O.
What is the InChIKey of N-[[4-(2,2-difluoroethyl)-1-propan-2-ylpiperazin-2-yl]methyl]methanesulfonamide?
The InChIKey is XRWVRUHIFJMSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F2N3O2S/c1-9(2)16-5-4-15(8-11(12)13)7-10(16)6-14-19(3,17)18/h9-11,14H,4-8H2,1-3H3.
What are the key properties of N-[[4-(2,2-difluoroethyl)-1-propan-2-ylpiperazin-2-yl]methyl]methanesulfonamide?
N-[[4-(2,2-difluoroethyl)-1-propan-2-ylpiperazin-2-yl]methyl]methanesulfonamide has a molecular weight of 299.39 g/mol, XLogP of 0.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,2-difluoroethyl)-1-propan-2-ylpiperazin-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 118241722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).