[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]methanesulfonamide

C10H15FN4O2S — CID 154736534

IUPAC[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CCCN(c2ncc(F)cn2)C1
InChIInChI=1S/C10H15FN4O2S/c11-9-4-13-10(14-5-9)15-3-1-2-8(6-15)7-18(12,16)17/h4-5,8H,1-3,6-7H2,(H2,12,16,17)
InChIKeyDBMWGDLSBQVXAO-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.12
Rot. Bonds3

About [1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]methanesulfonamide

[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]methanesulfonamide (PubChem CID 154736534) has the molecular formula C10H15FN4O2S and a molecular weight of 274.32 g/mol. Its IUPAC name is [1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]methanesulfonamide
PubChem CID154736534
Molecular FormulaC10H15FN4O2S
Molecular Weight274.32 g/mol
Exact Mass274.09
IUPAC Name[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CCCN(c2ncc(F)cn2)C1
InChIInChI=1S/C10H15FN4O2S/c11-9-4-13-10(14-5-9)15-3-1-2-8(6-15)7-18(12,16)17/h4-5,8H,1-3,6-7H2,(H2,12,16,17)
InChIKeyDBMWGDLSBQVXAO-UHFFFAOYSA-N
XLogP0.12
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]propanoic acid
CID 104605891
5-fluoro-2-[(3R)-3-[[(2R)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]pyrimidine
CID 125135600
5-fluoro-2-[(3S)-3-[[(2S)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]pyrimidine
CID 125135597
N-[[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]methyl]-2-methylpropan-1-amine
CID 104606621
2-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]ethanamine
CID 114802329
S-[(3S)-1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]thiohydroxylamine
CID 134532144
[1-(4-fluoro-2-nitrophenyl)piperidin-3-yl]methanesulfonamide
CID 56805196
1-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]ethanone
CID 104606096
N-aminosulfanyl-N-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]hydroxylamine
CID 134534793
2-[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]acetamide
CID 133355987
5-fluoro-2-(3-methoxypiperidin-1-yl)pyrimidine
CID 134532206
N-[[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]methyl]-N-methylmethanesulfonamide
CID 136542424

Frequently Asked Questions

What is the IUPAC name of [1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]methanesulfonamide?
The IUPAC name of [1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]methanesulfonamide (CID 154736534) is [1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for [1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]methanesulfonamide?
The canonical SMILES for [1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]methanesulfonamide is NS(=O)(=O)CC1CCCN(c2ncc(F)cn2)C1.
What is the InChIKey of [1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]methanesulfonamide?
The InChIKey is DBMWGDLSBQVXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN4O2S/c11-9-4-13-10(14-5-9)15-3-1-2-8(6-15)7-18(12,16)17/h4-5,8H,1-3,6-7H2,(H2,12,16,17).
What are the key properties of [1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]methanesulfonamide?
[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]methanesulfonamide has a molecular weight of 274.32 g/mol, XLogP of 0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 154736534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).