2-piperidin-3-ylsulfonylpyrimidine

C9H13N3O2S — CID 71645525

IUPAC2-piperidin-3-ylsulfonylpyrimidine
SMILESO=S(=O)(c1ncccn1)C1CCCNC1
InChIInChI=1S/C9H13N3O2S/c13-15(14,8-3-1-4-10-7-8)9-11-5-2-6-12-9/h2,5-6,8,10H,1,3-4,7H2
InChIKeySZPRADDGTSZMPZ-UHFFFAOYSA-N
MW227.29 g/mol
LogP0.00
Rot. Bonds2

About 2-piperidin-3-ylsulfonylpyrimidine

2-piperidin-3-ylsulfonylpyrimidine (PubChem CID 71645525) has the molecular formula C9H13N3O2S and a molecular weight of 227.29 g/mol. Its IUPAC name is 2-piperidin-3-ylsulfonylpyrimidine.

Molecular Properties

Compound Name2-piperidin-3-ylsulfonylpyrimidine
PubChem CID71645525
Molecular FormulaC9H13N3O2S
Molecular Weight227.29 g/mol
Exact Mass227.07
IUPAC Name2-piperidin-3-ylsulfonylpyrimidine
SMILESO=S(=O)(c1ncccn1)C1CCCNC1
InChIInChI=1S/C9H13N3O2S/c13-15(14,8-3-1-4-10-7-8)9-11-5-2-6-12-9/h2,5-6,8,10H,1,3-4,7H2
InChIKeySZPRADDGTSZMPZ-UHFFFAOYSA-N
XLogP0.00
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(isobutylsulfonyl)ethyl]pyrimidin-2-amine
CID 72909170
2-Ethylsulfonylpyrimidine
CID 20158620
N-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrimidin-2-amine
CID 94210816
5-fluoro-2-[(2S,3S)-3-pyrimidin-2-ylsulfonylbutan-2-yl]pyrimidine
CID 124085322
5-fluoro-2-[(2R,3R)-3-pyrimidin-2-ylsulfonylbutan-2-yl]pyrimidine
CID 124085337
2-[(3R,4S)-3-fluoro-4-methylsulfinylpiperidin-1-yl]pyrimidin-4-amine
CID 141406579
5-fluoro-2-[(2R)-2-pyrimidin-2-ylsulfonylpropyl]pyrimidine
CID 163656724
Propenenitrile, 2-propylsulfonyl-3-(2-pyrimidylamino)-
CID 2819490
{2-[(4-Pyrimidin-2-ylpiperazin-1-yl)sulfonyl]ethyl}amine
CID 20119903
1-(Pyrimidin-2-yl)octahydrothieno[3,4-b]pyrazine 6,6-di oxide
CID 132890412
2-((Propan-2-yl-d7)sulfonyl)pyrimidine
CID 166636916
5-fluoro-2-[(3R)-pyrrolidin-3-yl]sulfonylpyrimidine
CID 71643527

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-3-ylsulfonylpyrimidine?
The IUPAC name of 2-piperidin-3-ylsulfonylpyrimidine (CID 71645525) is 2-piperidin-3-ylsulfonylpyrimidine.
What is the SMILES notation for 2-piperidin-3-ylsulfonylpyrimidine?
The canonical SMILES for 2-piperidin-3-ylsulfonylpyrimidine is O=S(=O)(c1ncccn1)C1CCCNC1.
What is the InChIKey of 2-piperidin-3-ylsulfonylpyrimidine?
The InChIKey is SZPRADDGTSZMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S/c13-15(14,8-3-1-4-10-7-8)9-11-5-2-6-12-9/h2,5-6,8,10H,1,3-4,7H2.
What are the key properties of 2-piperidin-3-ylsulfonylpyrimidine?
2-piperidin-3-ylsulfonylpyrimidine has a molecular weight of 227.29 g/mol, XLogP of 0.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-3-ylsulfonylpyrimidine is sourced from PubChem (CID 71645525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).