N-[(1-butan-2-yl-4-fluoropyrrolidin-2-yl)methyl]-N-ethylmethanesulfonamide

C12H25FN2O2S — CID 70939962

IUPACN-[(1-butan-2-yl-4-fluoropyrrolidin-2-yl)methyl]-N-ethylmethanesulfonamide
SMILESCCC(C)N1CC(F)CC1CN(CC)S(C)(=O)=O
InChIInChI=1S/C12H25FN2O2S/c1-5-10(3)15-8-11(13)7-12(15)9-14(6-2)18(4,16)17/h10-12H,5-9H2,1-4H3
InChIKeyCOCBTXANBSNBPZ-UHFFFAOYSA-N
MW280.41 g/mol
LogP1.48
Rot. Bonds6

About N-[(1-butan-2-yl-4-fluoropyrrolidin-2-yl)methyl]-N-ethylmethanesulfonamide

N-[(1-butan-2-yl-4-fluoropyrrolidin-2-yl)methyl]-N-ethylmethanesulfonamide (PubChem CID 70939962) has the molecular formula C12H25FN2O2S and a molecular weight of 280.41 g/mol. Its IUPAC name is N-[(1-butan-2-yl-4-fluoropyrrolidin-2-yl)methyl]-N-ethylmethanesulfonamide.

Molecular Properties

Compound NameN-[(1-butan-2-yl-4-fluoropyrrolidin-2-yl)methyl]-N-ethylmethanesulfonamide
PubChem CID70939962
Molecular FormulaC12H25FN2O2S
Molecular Weight280.41 g/mol
Exact Mass280.16
IUPAC NameN-[(1-butan-2-yl-4-fluoropyrrolidin-2-yl)methyl]-N-ethylmethanesulfonamide
SMILESCCC(C)N1CC(F)CC1CN(CC)S(C)(=O)=O
InChIInChI=1S/C12H25FN2O2S/c1-5-10(3)15-8-11(13)7-12(15)9-14(6-2)18(4,16)17/h10-12H,5-9H2,1-4H3
InChIKeyCOCBTXANBSNBPZ-UHFFFAOYSA-N
XLogP1.48
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(1-butan-2-yl-4-fluoropyrrolidin-2-yl)methyl]-N-ethylmethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1-butan-2-yl-4-fluoropyrrolidin-2-yl)methyl]-N-ethylmethanesulfonamide?
The IUPAC name of N-[(1-butan-2-yl-4-fluoropyrrolidin-2-yl)methyl]-N-ethylmethanesulfonamide (CID 70939962) is N-[(1-butan-2-yl-4-fluoropyrrolidin-2-yl)methyl]-N-ethylmethanesulfonamide.
What is the SMILES notation for N-[(1-butan-2-yl-4-fluoropyrrolidin-2-yl)methyl]-N-ethylmethanesulfonamide?
The canonical SMILES for N-[(1-butan-2-yl-4-fluoropyrrolidin-2-yl)methyl]-N-ethylmethanesulfonamide is CCC(C)N1CC(F)CC1CN(CC)S(C)(=O)=O.
What is the InChIKey of N-[(1-butan-2-yl-4-fluoropyrrolidin-2-yl)methyl]-N-ethylmethanesulfonamide?
The InChIKey is COCBTXANBSNBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25FN2O2S/c1-5-10(3)15-8-11(13)7-12(15)9-14(6-2)18(4,16)17/h10-12H,5-9H2,1-4H3.
What are the key properties of N-[(1-butan-2-yl-4-fluoropyrrolidin-2-yl)methyl]-N-ethylmethanesulfonamide?
N-[(1-butan-2-yl-4-fluoropyrrolidin-2-yl)methyl]-N-ethylmethanesulfonamide has a molecular weight of 280.41 g/mol, XLogP of 1.48, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-butan-2-yl-4-fluoropyrrolidin-2-yl)methyl]-N-ethylmethanesulfonamide is sourced from PubChem (CID 70939962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).