(3S,5R)-1-(5-fluoropyrimidin-2-yl)-5-methylpiperidine-3-sulfonamide

C10H15FN4O2S — CID 134534762

IUPAC(3S,5R)-1-(5-fluoropyrimidin-2-yl)-5-methylpiperidine-3-sulfonamide
SMILESC[C@@H]1C[C@H](S(N)(=O)=O)CN(c2ncc(F)cn2)C1
InChIInChI=1S/C10H15FN4O2S/c1-7-2-9(18(12,16)17)6-15(5-7)10-13-3-8(11)4-14-10/h3-4,7,9H,2,5-6H2,1H3,(H2,12,16,17)/t7-,9+/m1/s1
InChIKeyQGDVQFLFOGGFMH-APPZFPTMSA-N
MW274.32 g/mol
LogP0.12
Rot. Bonds2

About (3S,5R)-1-(5-fluoropyrimidin-2-yl)-5-methylpiperidine-3-sulfonamide

(3S,5R)-1-(5-fluoropyrimidin-2-yl)-5-methylpiperidine-3-sulfonamide (PubChem CID 134534762) has the molecular formula C10H15FN4O2S and a molecular weight of 274.32 g/mol. Its IUPAC name is (3S,5R)-1-(5-fluoropyrimidin-2-yl)-5-methylpiperidine-3-sulfonamide.

Molecular Properties

Compound Name(3S,5R)-1-(5-fluoropyrimidin-2-yl)-5-methylpiperidine-3-sulfonamide
PubChem CID134534762
Molecular FormulaC10H15FN4O2S
Molecular Weight274.32 g/mol
Exact Mass274.09
IUPAC Name(3S,5R)-1-(5-fluoropyrimidin-2-yl)-5-methylpiperidine-3-sulfonamide
SMILESC[C@@H]1C[C@H](S(N)(=O)=O)CN(c2ncc(F)cn2)C1
InChIInChI=1S/C10H15FN4O2S/c1-7-2-9(18(12,16)17)6-15(5-7)10-13-3-8(11)4-14-10/h3-4,7,9H,2,5-6H2,1H3,(H2,12,16,17)/t7-,9+/m1/s1
InChIKeyQGDVQFLFOGGFMH-APPZFPTMSA-N
XLogP0.12
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
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

(2S,3R)-3-(5-Methylpyrimidin-2-yl)butane-2-sulfonamide
CID 122702009
9-(5-Fluoropyrimidin-2-yl)-2-methylsulfonyl-2,9-diazaspiro[4.5]decane
CID 118739083
2-Cyclopropylsulfonyl-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decane
CID 118739084
2-Ethylsulfonyl-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decane
CID 118739087
9-(5-Fluoropyrimidin-2-yl)-2-propylsulfonyl-2,9-diazaspiro[4.5]decane
CID 118739088
[1-(5-Bromopyrimidin-2-yl)piperidin-4-yl]methanesulfonamide
CID 60301772
1-(5-chloropyrimidin-2-yl)-N-methylpiperidine-3-sulfonamide
CID 75376381
N-[(1,1-dioxothian-4-yl)methyl]-5-fluoropyrimidin-2-amine
CID 75496379
5-[(1,1-dioxidothiomorpholin-4-yl)methyl]-N,N-dimethylpyrimidin-2-amine
CID 77080738
N-((1-(5-fluoropyrimidin-2-yl)piperidin-4-yl)methyl)propane-1-sulfonamide
CID 91814123
N,N-dimethyl-5-[[(3S)-3-(methylsulfonylmethyl)piperidin-1-yl]methyl]pyrimidin-2-amine
CID 99950077
(3aS,8aR)-6-(5-fluoropyrimidin-2-yl)-2-(2-methylpropyl)-3a,4,5,7,8,8a-hexahydro-3H-[1,2]thiazolo[4,5-d]azepine 1,1-dioxide
CID 125258073

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-1-(5-fluoropyrimidin-2-yl)-5-methylpiperidine-3-sulfonamide?
The IUPAC name of (3S,5R)-1-(5-fluoropyrimidin-2-yl)-5-methylpiperidine-3-sulfonamide (CID 134534762) is (3S,5R)-1-(5-fluoropyrimidin-2-yl)-5-methylpiperidine-3-sulfonamide.
What is the SMILES notation for (3S,5R)-1-(5-fluoropyrimidin-2-yl)-5-methylpiperidine-3-sulfonamide?
The canonical SMILES for (3S,5R)-1-(5-fluoropyrimidin-2-yl)-5-methylpiperidine-3-sulfonamide is C[C@@H]1C[C@H](S(N)(=O)=O)CN(c2ncc(F)cn2)C1.
What is the InChIKey of (3S,5R)-1-(5-fluoropyrimidin-2-yl)-5-methylpiperidine-3-sulfonamide?
The InChIKey is QGDVQFLFOGGFMH-APPZFPTMSA-N. The full InChI is InChI=1S/C10H15FN4O2S/c1-7-2-9(18(12,16)17)6-15(5-7)10-13-3-8(11)4-14-10/h3-4,7,9H,2,5-6H2,1H3,(H2,12,16,17)/t7-,9+/m1/s1.
What are the key properties of (3S,5R)-1-(5-fluoropyrimidin-2-yl)-5-methylpiperidine-3-sulfonamide?
(3S,5R)-1-(5-fluoropyrimidin-2-yl)-5-methylpiperidine-3-sulfonamide has a molecular weight of 274.32 g/mol, XLogP of 0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-1-(5-fluoropyrimidin-2-yl)-5-methylpiperidine-3-sulfonamide is sourced from PubChem (CID 134534762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).