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

C10H21FN2O2S — CID 118241809

IUPACN-[(1-butan-2-yl-4-fluoropyrrolidin-2-yl)methyl]methanesulfonamide
SMILESCCC(C)N1CC(F)CC1CNS(C)(=O)=O
InChIInChI=1S/C10H21FN2O2S/c1-4-8(2)13-7-9(11)5-10(13)6-12-16(3,14)15/h8-10,12H,4-7H2,1-3H3
InChIKeyWAZBBPREUWURAG-UHFFFAOYSA-N
MW252.35 g/mol
LogP0.75
Rot. Bonds5

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

N-[(1-butan-2-yl-4-fluoropyrrolidin-2-yl)methyl]methanesulfonamide (PubChem CID 118241809) has the molecular formula C10H21FN2O2S and a molecular weight of 252.35 g/mol. Its IUPAC name is N-[(1-butan-2-yl-4-fluoropyrrolidin-2-yl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(1-butan-2-yl-4-fluoropyrrolidin-2-yl)methyl]methanesulfonamide
PubChem CID118241809
Molecular FormulaC10H21FN2O2S
Molecular Weight252.35 g/mol
Exact Mass252.13
IUPAC NameN-[(1-butan-2-yl-4-fluoropyrrolidin-2-yl)methyl]methanesulfonamide
SMILESCCC(C)N1CC(F)CC1CNS(C)(=O)=O
InChIInChI=1S/C10H21FN2O2S/c1-4-8(2)13-7-9(11)5-10(13)6-12-16(3,14)15/h8-10,12H,4-7H2,1-3H3
InChIKeyWAZBBPREUWURAG-UHFFFAOYSA-N
XLogP0.75
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

((2R)-1-methanesulfonylpyrrolidin-2-yl)methanamine
CID 71757008
(1-Ethylpyrrolidin-2-yl)methanaminium triflate
CID 138392302
N-[2-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]ethyl]methanesulfonamide
CID 75431194
N-[(3S)-1-cyclopentylpyrrolidin-3-yl]butane-1-sulfonamide
CID 95322394
N-[(1-butan-2-yl-4-fluoropyrrolidin-2-yl)methyl]-N-(2-methylbutan-2-yl)methanesulfonamide
CID 70939926
N-[(4-fluoro-1-propan-2-ylpyrrolidin-2-yl)methyl]-N-methylmethanesulfonamide
CID 70939942
N-[(1-butan-2-yl-4-fluoropyrrolidin-2-yl)methyl]-N-ethylmethanesulfonamide
CID 70939962
N-ethyl-N-[(4-fluoro-1-propan-2-ylpyrrolidin-2-yl)methyl]methanesulfonamide
CID 89901762
N-[(1-butan-2-yl-4-fluoropyrrolidin-2-yl)methyl]-N-methylmethanesulfonamide
CID 121274615
N-[2-[2-fluoroethyl(propan-2-yl)amino]ethyl]methanesulfonamide
CID 121481036
N-[[(7S,8aS)-7-fluoro-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-4-yl]methyl]methanesulfonamide
CID 139343601
N-[(7-fluoro-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-4-yl)methyl]methanesulfonamide
CID 139357928

Frequently Asked Questions

What is the IUPAC name of N-[(1-butan-2-yl-4-fluoropyrrolidin-2-yl)methyl]methanesulfonamide?
The IUPAC name of N-[(1-butan-2-yl-4-fluoropyrrolidin-2-yl)methyl]methanesulfonamide (CID 118241809) is N-[(1-butan-2-yl-4-fluoropyrrolidin-2-yl)methyl]methanesulfonamide.
What is the SMILES notation for N-[(1-butan-2-yl-4-fluoropyrrolidin-2-yl)methyl]methanesulfonamide?
The canonical SMILES for N-[(1-butan-2-yl-4-fluoropyrrolidin-2-yl)methyl]methanesulfonamide is CCC(C)N1CC(F)CC1CNS(C)(=O)=O.
What is the InChIKey of N-[(1-butan-2-yl-4-fluoropyrrolidin-2-yl)methyl]methanesulfonamide?
The InChIKey is WAZBBPREUWURAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21FN2O2S/c1-4-8(2)13-7-9(11)5-10(13)6-12-16(3,14)15/h8-10,12H,4-7H2,1-3H3.
What are the key properties of N-[(1-butan-2-yl-4-fluoropyrrolidin-2-yl)methyl]methanesulfonamide?
N-[(1-butan-2-yl-4-fluoropyrrolidin-2-yl)methyl]methanesulfonamide has a molecular weight of 252.35 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 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]methanesulfonamide is sourced from PubChem (CID 118241809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).