N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-4-methoxypiperidine-1-sulfonamide

C11H22FN3O3S — CID 70724983

IUPACN-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-4-methoxypiperidine-1-sulfonamide
SMILESCOC1CCN(S(=O)(=O)NC[C@@H]2C[C@H](F)CN2)CC1
InChIInChI=1S/C11H22FN3O3S/c1-18-11-2-4-15(5-3-11)19(16,17)14-8-10-6-9(12)7-13-10/h9-11,13-14H,2-8H2,1H3/t9-,10-/m0/s1
InChIKeyBJYRDLVZLGYSJX-UWVGGRQHSA-N
MW295.38 g/mol
LogP-0.37
Rot. Bonds5

About N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-4-methoxypiperidine-1-sulfonamide

N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-4-methoxypiperidine-1-sulfonamide (PubChem CID 70724983) has the molecular formula C11H22FN3O3S and a molecular weight of 295.38 g/mol. Its IUPAC name is N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-4-methoxypiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-4-methoxypiperidine-1-sulfonamide
PubChem CID70724983
Molecular FormulaC11H22FN3O3S
Molecular Weight295.38 g/mol
Exact Mass295.14
IUPAC NameN-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-4-methoxypiperidine-1-sulfonamide
SMILESCOC1CCN(S(=O)(=O)NC[C@@H]2C[C@H](F)CN2)CC1
InChIInChI=1S/C11H22FN3O3S/c1-18-11-2-4-15(5-3-11)19(16,17)14-8-10-6-9(12)7-13-10/h9-11,13-14H,2-8H2,1H3/t9-,10-/m0/s1
InChIKeyBJYRDLVZLGYSJX-UWVGGRQHSA-N
XLogP-0.37
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-4-methoxypiperidine-1-sulfonamide?
The IUPAC name of N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-4-methoxypiperidine-1-sulfonamide (CID 70724983) is N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-4-methoxypiperidine-1-sulfonamide.
What is the SMILES notation for N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-4-methoxypiperidine-1-sulfonamide?
The canonical SMILES for N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-4-methoxypiperidine-1-sulfonamide is COC1CCN(S(=O)(=O)NC[C@@H]2C[C@H](F)CN2)CC1.
What is the InChIKey of N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-4-methoxypiperidine-1-sulfonamide?
The InChIKey is BJYRDLVZLGYSJX-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H22FN3O3S/c1-18-11-2-4-15(5-3-11)19(16,17)14-8-10-6-9(12)7-13-10/h9-11,13-14H,2-8H2,1H3/t9-,10-/m0/s1.
What are the key properties of N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-4-methoxypiperidine-1-sulfonamide?
N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-4-methoxypiperidine-1-sulfonamide has a molecular weight of 295.38 g/mol, XLogP of -0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-4-methoxypiperidine-1-sulfonamide is sourced from PubChem (CID 70724983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).