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

C10H15FN4O3S — CID 122702484

IUPAC(3R,5R)-1-(5-fluoropyrimidin-2-yl)-5-methoxypiperidine-3-sulfonamide
SMILESCO[C@@H]1C[C@@H](S(N)(=O)=O)CN(c2ncc(F)cn2)C1
InChIInChI=1S/C10H15FN4O3S/c1-18-8-2-9(19(12,16)17)6-15(5-8)10-13-3-7(11)4-14-10/h3-4,8-9H,2,5-6H2,1H3,(H2,12,16,17)/t8-,9-/m1/s1
InChIKeyIHDWUNBHACYVMV-RKDXNWHRSA-N
MW290.32 g/mol
LogP-0.50
Rot. Bonds3

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

(3R,5R)-1-(5-fluoropyrimidin-2-yl)-5-methoxypiperidine-3-sulfonamide (PubChem CID 122702484) has the molecular formula C10H15FN4O3S and a molecular weight of 290.32 g/mol. Its IUPAC name is (3R,5R)-1-(5-fluoropyrimidin-2-yl)-5-methoxypiperidine-3-sulfonamide.

Molecular Properties

Compound Name(3R,5R)-1-(5-fluoropyrimidin-2-yl)-5-methoxypiperidine-3-sulfonamide
PubChem CID122702484
Molecular FormulaC10H15FN4O3S
Molecular Weight290.32 g/mol
Exact Mass290.08
IUPAC Name(3R,5R)-1-(5-fluoropyrimidin-2-yl)-5-methoxypiperidine-3-sulfonamide
SMILESCO[C@@H]1C[C@@H](S(N)(=O)=O)CN(c2ncc(F)cn2)C1
InChIInChI=1S/C10H15FN4O3S/c1-18-8-2-9(19(12,16)17)6-15(5-8)10-13-3-7(11)4-14-10/h3-4,8-9H,2,5-6H2,1H3,(H2,12,16,17)/t8-,9-/m1/s1
InChIKeyIHDWUNBHACYVMV-RKDXNWHRSA-N
XLogP-0.50
TPSA98.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

8-(5-Fluoropyrimidin-2-yl)-4-propylsulfonyl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 118739085
8-(5-Fluoropyrimidin-2-yl)-4-methylsulfonyl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 118739111
4-Ethylsulfonyl-8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane
CID 118739113
4-Cyclopropylsulfonyl-8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane
CID 131650300
2-[(3S)-1-ethylsulfonylpiperidin-3-yl]oxy-5-fluoropyrimidine
CID 129524224
[2-(5-fluoropyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl] methanesulfonate
CID 21706380
[1-(5-Fluoro-2-pyrimidinyl)-4-piperidinyl]methyl methanesulfonate
CID 86638746
(+/-)-1-[1-(5-Fluoro-2-pyrimidinyl)-4-piperidinyl]ethyl methanesulfonate
CID 86638748
(7R,8aS)-7-methanesulfonyloxy-2-(5-fluoropyrimidin-2-yl)-1,2,3,4,6,7,8,8a-octahydro-pyrrolo[1,2-a]pyrazine
CID 86752023
[(7R)-2-(5-fluoropyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl] methanesulfonate
CID 88327770
(3R,5S)-1-(5-fluoropyrimidin-2-yl)-5-hydroxypiperidine-3-sulfonamide
CID 122701377
(1R,2S)-1-(5-fluoropyrimidin-2-yl)-1-methoxypropane-2-sulfonamide
CID 122701438

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-1-(5-fluoropyrimidin-2-yl)-5-methoxypiperidine-3-sulfonamide?
The IUPAC name of (3R,5R)-1-(5-fluoropyrimidin-2-yl)-5-methoxypiperidine-3-sulfonamide (CID 122702484) is (3R,5R)-1-(5-fluoropyrimidin-2-yl)-5-methoxypiperidine-3-sulfonamide.
What is the SMILES notation for (3R,5R)-1-(5-fluoropyrimidin-2-yl)-5-methoxypiperidine-3-sulfonamide?
The canonical SMILES for (3R,5R)-1-(5-fluoropyrimidin-2-yl)-5-methoxypiperidine-3-sulfonamide is CO[C@@H]1C[C@@H](S(N)(=O)=O)CN(c2ncc(F)cn2)C1.
What is the InChIKey of (3R,5R)-1-(5-fluoropyrimidin-2-yl)-5-methoxypiperidine-3-sulfonamide?
The InChIKey is IHDWUNBHACYVMV-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H15FN4O3S/c1-18-8-2-9(19(12,16)17)6-15(5-8)10-13-3-7(11)4-14-10/h3-4,8-9H,2,5-6H2,1H3,(H2,12,16,17)/t8-,9-/m1/s1.
What are the key properties of (3R,5R)-1-(5-fluoropyrimidin-2-yl)-5-methoxypiperidine-3-sulfonamide?
(3R,5R)-1-(5-fluoropyrimidin-2-yl)-5-methoxypiperidine-3-sulfonamide has a molecular weight of 290.32 g/mol, XLogP of -0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-1-(5-fluoropyrimidin-2-yl)-5-methoxypiperidine-3-sulfonamide is sourced from PubChem (CID 122702484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).