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

C11H24FN3O2S — CID 118241771

IUPACN-[[4-(2-fluoroethyl)-1-propan-2-ylpiperazin-2-yl]methyl]methanesulfonamide
SMILESCC(C)N1CCN(CCF)CC1CNS(C)(=O)=O
InChIInChI=1S/C11H24FN3O2S/c1-10(2)15-7-6-14(5-4-12)9-11(15)8-13-18(3,16)17/h10-11,13H,4-9H2,1-3H3
InChIKeyLNRAWTSJKFYOMJ-UHFFFAOYSA-N
MW281.40 g/mol
LogP-0.10
Rot. Bonds6

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

N-[[4-(2-fluoroethyl)-1-propan-2-ylpiperazin-2-yl]methyl]methanesulfonamide (PubChem CID 118241771) has the molecular formula C11H24FN3O2S and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[[4-(2-fluoroethyl)-1-propan-2-ylpiperazin-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[4-(2-fluoroethyl)-1-propan-2-ylpiperazin-2-yl]methyl]methanesulfonamide
PubChem CID118241771
Molecular FormulaC11H24FN3O2S
Molecular Weight281.40 g/mol
Exact Mass281.16
IUPAC NameN-[[4-(2-fluoroethyl)-1-propan-2-ylpiperazin-2-yl]methyl]methanesulfonamide
SMILESCC(C)N1CCN(CCF)CC1CNS(C)(=O)=O
InChIInChI=1S/C11H24FN3O2S/c1-10(2)15-7-6-14(5-4-12)9-11(15)8-13-18(3,16)17/h10-11,13H,4-9H2,1-3H3
InChIKeyLNRAWTSJKFYOMJ-UHFFFAOYSA-N
XLogP-0.10
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-fluoroethyl)-1-propan-2-ylpiperazin-2-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[4-(2-fluoroethyl)-1-propan-2-ylpiperazin-2-yl]methyl]methanesulfonamide (CID 118241771) is N-[[4-(2-fluoroethyl)-1-propan-2-ylpiperazin-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[4-(2-fluoroethyl)-1-propan-2-ylpiperazin-2-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[4-(2-fluoroethyl)-1-propan-2-ylpiperazin-2-yl]methyl]methanesulfonamide is CC(C)N1CCN(CCF)CC1CNS(C)(=O)=O.
What is the InChIKey of N-[[4-(2-fluoroethyl)-1-propan-2-ylpiperazin-2-yl]methyl]methanesulfonamide?
The InChIKey is LNRAWTSJKFYOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24FN3O2S/c1-10(2)15-7-6-14(5-4-12)9-11(15)8-13-18(3,16)17/h10-11,13H,4-9H2,1-3H3.
What are the key properties of N-[[4-(2-fluoroethyl)-1-propan-2-ylpiperazin-2-yl]methyl]methanesulfonamide?
N-[[4-(2-fluoroethyl)-1-propan-2-ylpiperazin-2-yl]methyl]methanesulfonamide has a molecular weight of 281.40 g/mol, XLogP of -0.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-fluoroethyl)-1-propan-2-ylpiperazin-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 118241771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).