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

C10H15FN4O3S — CID 122701546

IUPAC(3S,5S)-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-/m0/s1
InChIKeyIHDWUNBHACYVMV-IUCAKERBSA-N
MW290.32 g/mol
LogP-0.50
Rot. Bonds3

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

(3S,5S)-1-(5-fluoropyrimidin-2-yl)-5-methoxypiperidine-3-sulfonamide (PubChem CID 122701546) has the molecular formula C10H15FN4O3S and a molecular weight of 290.32 g/mol. Its IUPAC name is (3S,5S)-1-(5-fluoropyrimidin-2-yl)-5-methoxypiperidine-3-sulfonamide.

Molecular Properties

Compound Name(3S,5S)-1-(5-fluoropyrimidin-2-yl)-5-methoxypiperidine-3-sulfonamide
PubChem CID122701546
Molecular FormulaC10H15FN4O3S
Molecular Weight290.32 g/mol
Exact Mass290.08
IUPAC Name(3S,5S)-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-/m0/s1
InChIKeyIHDWUNBHACYVMV-IUCAKERBSA-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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Frequently Asked Questions

What is the IUPAC name of (3S,5S)-1-(5-fluoropyrimidin-2-yl)-5-methoxypiperidine-3-sulfonamide?
The IUPAC name of (3S,5S)-1-(5-fluoropyrimidin-2-yl)-5-methoxypiperidine-3-sulfonamide (CID 122701546) is (3S,5S)-1-(5-fluoropyrimidin-2-yl)-5-methoxypiperidine-3-sulfonamide.
What is the SMILES notation for (3S,5S)-1-(5-fluoropyrimidin-2-yl)-5-methoxypiperidine-3-sulfonamide?
The canonical SMILES for (3S,5S)-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 (3S,5S)-1-(5-fluoropyrimidin-2-yl)-5-methoxypiperidine-3-sulfonamide?
The InChIKey is IHDWUNBHACYVMV-IUCAKERBSA-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-/m0/s1.
What are the key properties of (3S,5S)-1-(5-fluoropyrimidin-2-yl)-5-methoxypiperidine-3-sulfonamide?
(3S,5S)-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 (3S,5S)-1-(5-fluoropyrimidin-2-yl)-5-methoxypiperidine-3-sulfonamide is sourced from PubChem (CID 122701546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).