1-(5-fluoropyrimidin-2-yl)piperidine-3-sulfinamide

C9H13FN4OS — CID 134534710

IUPAC1-(5-fluoropyrimidin-2-yl)piperidine-3-sulfinamide
SMILESNS(=O)C1CCCN(c2ncc(F)cn2)C1
InChIInChI=1S/C9H13FN4OS/c10-7-4-12-9(13-5-7)14-3-1-2-8(6-14)16(11)15/h4-5,8H,1-3,6,11H2
InChIKeyOTXHHUSVNOOVQO-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.21
Rot. Bonds2

About 1-(5-fluoropyrimidin-2-yl)piperidine-3-sulfinamide

1-(5-fluoropyrimidin-2-yl)piperidine-3-sulfinamide (PubChem CID 134534710) has the molecular formula C9H13FN4OS and a molecular weight of 244.29 g/mol. Its IUPAC name is 1-(5-fluoropyrimidin-2-yl)piperidine-3-sulfinamide.

Molecular Properties

Compound Name1-(5-fluoropyrimidin-2-yl)piperidine-3-sulfinamide
PubChem CID134534710
Molecular FormulaC9H13FN4OS
Molecular Weight244.29 g/mol
Exact Mass244.08
IUPAC Name1-(5-fluoropyrimidin-2-yl)piperidine-3-sulfinamide
SMILESNS(=O)C1CCCN(c2ncc(F)cn2)C1
InChIInChI=1S/C9H13FN4OS/c10-7-4-12-9(13-5-7)14-3-1-2-8(6-14)16(11)15/h4-5,8H,1-3,6,11H2
InChIKeyOTXHHUSVNOOVQO-UHFFFAOYSA-N
XLogP0.21
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoropyrimidin-2-yl)piperidine-3-sulfinamide?
The IUPAC name of 1-(5-fluoropyrimidin-2-yl)piperidine-3-sulfinamide (CID 134534710) is 1-(5-fluoropyrimidin-2-yl)piperidine-3-sulfinamide.
What is the SMILES notation for 1-(5-fluoropyrimidin-2-yl)piperidine-3-sulfinamide?
The canonical SMILES for 1-(5-fluoropyrimidin-2-yl)piperidine-3-sulfinamide is NS(=O)C1CCCN(c2ncc(F)cn2)C1.
What is the InChIKey of 1-(5-fluoropyrimidin-2-yl)piperidine-3-sulfinamide?
The InChIKey is OTXHHUSVNOOVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN4OS/c10-7-4-12-9(13-5-7)14-3-1-2-8(6-14)16(11)15/h4-5,8H,1-3,6,11H2.
What are the key properties of 1-(5-fluoropyrimidin-2-yl)piperidine-3-sulfinamide?
1-(5-fluoropyrimidin-2-yl)piperidine-3-sulfinamide has a molecular weight of 244.29 g/mol, XLogP of 0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoropyrimidin-2-yl)piperidine-3-sulfinamide is sourced from PubChem (CID 134534710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).