N-[1-(5-fluoropyrimidin-4-yl)piperidin-3-yl]-N-methylcyclopropanesulfonamide

C13H19FN4O2S — CID 154582501

IUPACN-[1-(5-fluoropyrimidin-4-yl)piperidin-3-yl]-N-methylcyclopropanesulfonamide
SMILESCN(C1CCCN(c2ncncc2F)C1)S(=O)(=O)C1CC1
InChIInChI=1S/C13H19FN4O2S/c1-17(21(19,20)11-4-5-11)10-3-2-6-18(8-10)13-12(14)7-15-9-16-13/h7,9-11H,2-6,8H2,1H3
InChIKeyWUNGIBGXCKBYMK-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.01
Rot. Bonds4

About N-[1-(5-fluoropyrimidin-4-yl)piperidin-3-yl]-N-methylcyclopropanesulfonamide

N-[1-(5-fluoropyrimidin-4-yl)piperidin-3-yl]-N-methylcyclopropanesulfonamide (PubChem CID 154582501) has the molecular formula C13H19FN4O2S and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[1-(5-fluoropyrimidin-4-yl)piperidin-3-yl]-N-methylcyclopropanesulfonamide.

Molecular Properties

Compound NameN-[1-(5-fluoropyrimidin-4-yl)piperidin-3-yl]-N-methylcyclopropanesulfonamide
PubChem CID154582501
Molecular FormulaC13H19FN4O2S
Molecular Weight314.39 g/mol
Exact Mass314.12
IUPAC NameN-[1-(5-fluoropyrimidin-4-yl)piperidin-3-yl]-N-methylcyclopropanesulfonamide
SMILESCN(C1CCCN(c2ncncc2F)C1)S(=O)(=O)C1CC1
InChIInChI=1S/C13H19FN4O2S/c1-17(21(19,20)11-4-5-11)10-3-2-6-18(8-10)13-12(14)7-15-9-16-13/h7,9-11H,2-6,8H2,1H3
InChIKeyWUNGIBGXCKBYMK-UHFFFAOYSA-N
XLogP1.01
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-Bromo-2-chloro-4-(4-cyclopropylsulfonylpiperazin-1-yl)pyrimidine
CID 134150012
5-Bromo-2-chloro-4-(4-propylsulfonylpiperazin-1-yl)pyrimidine
CID 134157397
4-(4-(Propylsulfonyl)piperazin-1-yl)-2-(pyrrolidin-1-yl)pyrimidine
CID 70703312
2-(Piperidin-1-yl)-4-(4-(propylsulfonyl)piperazin-1-yl)pyrimidine
CID 70703711
2-Cyclopropylsulfonyl-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decane
CID 118739084
N~1~-{1-[6-(dimethylamino)-4-pyrimidinyl]-3-piperidyl}-1-cyclopropanesulfonamide
CID 53185789
N-((1-(5-fluoropyrimidin-2-yl)piperidin-4-yl)methyl)propane-1-sulfonamide
CID 91814123
5-fluoro-4-N,4-N-dimethyl-2-N-[2-[(2R)-1-methylsulfonylpiperidin-2-yl]ethyl]pyrimidine-2,4-diamine
CID 97130364
(3aR,6aR)-4-cyclopropylsulfonyl-1-(5-fluoropyrimidin-2-yl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole
CID 124237513
[4-(Dimethylaminomethylideneamino)-5-fluoropyrimidin-2-yl] propane-1-sulfonate
CID 57819259
N-(1-cyclopropylsulfonylpiperidin-4-yl)-5-fluoropyrimidin-2-amine
CID 100655032
(3S)-1-(5-fluoropyrimidin-2-yl)piperidine-3-sulfonamide
CID 124085647

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoropyrimidin-4-yl)piperidin-3-yl]-N-methylcyclopropanesulfonamide?
The IUPAC name of N-[1-(5-fluoropyrimidin-4-yl)piperidin-3-yl]-N-methylcyclopropanesulfonamide (CID 154582501) is N-[1-(5-fluoropyrimidin-4-yl)piperidin-3-yl]-N-methylcyclopropanesulfonamide.
What is the SMILES notation for N-[1-(5-fluoropyrimidin-4-yl)piperidin-3-yl]-N-methylcyclopropanesulfonamide?
The canonical SMILES for N-[1-(5-fluoropyrimidin-4-yl)piperidin-3-yl]-N-methylcyclopropanesulfonamide is CN(C1CCCN(c2ncncc2F)C1)S(=O)(=O)C1CC1.
What is the InChIKey of N-[1-(5-fluoropyrimidin-4-yl)piperidin-3-yl]-N-methylcyclopropanesulfonamide?
The InChIKey is WUNGIBGXCKBYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN4O2S/c1-17(21(19,20)11-4-5-11)10-3-2-6-18(8-10)13-12(14)7-15-9-16-13/h7,9-11H,2-6,8H2,1H3.
What are the key properties of N-[1-(5-fluoropyrimidin-4-yl)piperidin-3-yl]-N-methylcyclopropanesulfonamide?
N-[1-(5-fluoropyrimidin-4-yl)piperidin-3-yl]-N-methylcyclopropanesulfonamide has a molecular weight of 314.39 g/mol, XLogP of 1.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoropyrimidin-4-yl)piperidin-3-yl]-N-methylcyclopropanesulfonamide is sourced from PubChem (CID 154582501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).