2-ethoxy-1-(5-fluoropyrimidin-2-yl)piperidine-3-sulfonamide

C11H17FN4O3S — CID 140893445

IUPAC2-ethoxy-1-(5-fluoropyrimidin-2-yl)piperidine-3-sulfonamide
SMILESCCOC1C(S(N)(=O)=O)CCCN1c1ncc(F)cn1
InChIInChI=1S/C11H17FN4O3S/c1-2-19-10-9(20(13,17)18)4-3-5-16(10)11-14-6-8(12)7-15-11/h6-7,9-10H,2-5H2,1H3,(H2,13,17,18)
InChIKeyJJZIFVRYVWBZOE-UHFFFAOYSA-N
MW304.35 g/mol
LogP0.24
Rot. Bonds4

About 2-ethoxy-1-(5-fluoropyrimidin-2-yl)piperidine-3-sulfonamide

2-ethoxy-1-(5-fluoropyrimidin-2-yl)piperidine-3-sulfonamide (PubChem CID 140893445) has the molecular formula C11H17FN4O3S and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-ethoxy-1-(5-fluoropyrimidin-2-yl)piperidine-3-sulfonamide.

Molecular Properties

Compound Name2-ethoxy-1-(5-fluoropyrimidin-2-yl)piperidine-3-sulfonamide
PubChem CID140893445
Molecular FormulaC11H17FN4O3S
Molecular Weight304.35 g/mol
Exact Mass304.10
IUPAC Name2-ethoxy-1-(5-fluoropyrimidin-2-yl)piperidine-3-sulfonamide
SMILESCCOC1C(S(N)(=O)=O)CCCN1c1ncc(F)cn1
InChIInChI=1S/C11H17FN4O3S/c1-2-19-10-9(20(13,17)18)4-3-5-16(10)11-14-6-8(12)7-15-11/h6-7,9-10H,2-5H2,1H3,(H2,13,17,18)
InChIKeyJJZIFVRYVWBZOE-UHFFFAOYSA-N
XLogP0.24
TPSA98.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-ethoxy-1-(5-fluoropyrimidin-2-yl)piperidine-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-(5-Fluoropyrimidin-2-yl)-4-propylsulfonyl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 118739085
4-Ethylsulfonyl-8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane
CID 118739113
2-[(3S)-1-ethylsulfonylpiperidin-3-yl]oxy-5-fluoropyrimidine
CID 129524224
[1-(5-Fluoro-2-pyrimidinyl)-4-piperidinyl]methyl methanesulfonate
CID 86638746
(3R,5S)-1-(5-fluoropyrimidin-2-yl)-5-hydroxypiperidine-3-sulfonamide
CID 122701377
(3R,5S)-1-(5-fluoropyrimidin-2-yl)-5-propan-2-yloxypiperidine-3-sulfonamide
CID 122701506
(3S,5S)-1-(5-fluoropyrimidin-2-yl)-5-methoxypiperidine-3-sulfonamide
CID 122701546
1-(5-Fluoropyrimidin-2-yl)-5-hydroxypiperidine-3-sulfonamide
CID 122701660
(3R,5S)-1-(5-fluoropyrimidin-2-yl)-5-methoxypiperidine-3-sulfonamide
CID 122701694
(3R,5R)-1-(5-fluoropyrimidin-2-yl)-5-propan-2-yloxypiperidine-3-sulfonamide
CID 122701850
(3S,5R)-1-(5-fluoropyrimidin-2-yl)-5-propan-2-yloxypiperidine-3-sulfonamide
CID 122702007
(3S,5R)-1-(5-fluoropyrimidin-2-yl)-5-methoxypiperidine-3-sulfonamide
CID 122702424

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(5-fluoropyrimidin-2-yl)piperidine-3-sulfonamide?
The IUPAC name of 2-ethoxy-1-(5-fluoropyrimidin-2-yl)piperidine-3-sulfonamide (CID 140893445) is 2-ethoxy-1-(5-fluoropyrimidin-2-yl)piperidine-3-sulfonamide.
What is the SMILES notation for 2-ethoxy-1-(5-fluoropyrimidin-2-yl)piperidine-3-sulfonamide?
The canonical SMILES for 2-ethoxy-1-(5-fluoropyrimidin-2-yl)piperidine-3-sulfonamide is CCOC1C(S(N)(=O)=O)CCCN1c1ncc(F)cn1.
What is the InChIKey of 2-ethoxy-1-(5-fluoropyrimidin-2-yl)piperidine-3-sulfonamide?
The InChIKey is JJZIFVRYVWBZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN4O3S/c1-2-19-10-9(20(13,17)18)4-3-5-16(10)11-14-6-8(12)7-15-11/h6-7,9-10H,2-5H2,1H3,(H2,13,17,18).
What are the key properties of 2-ethoxy-1-(5-fluoropyrimidin-2-yl)piperidine-3-sulfonamide?
2-ethoxy-1-(5-fluoropyrimidin-2-yl)piperidine-3-sulfonamide has a molecular weight of 304.35 g/mol, XLogP of 0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(5-fluoropyrimidin-2-yl)piperidine-3-sulfonamide is sourced from PubChem (CID 140893445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).