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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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).