5-chloro-2-piperidin-3-ylsulfonylpyrimidine;hydrochloride

C9H13Cl2N3O2S — CID 71640088

IUPAC5-chloro-2-piperidin-3-ylsulfonylpyrimidine;hydrochloride
SMILESCl.O=S(=O)(c1ncc(Cl)cn1)C1CCCNC1
InChIInChI=1S/C9H12ClN3O2S.ClH/c10-7-4-12-9(13-5-7)16(14,15)8-2-1-3-11-6-8;/h4-5,8,11H,1-3,6H2;1H
InChIKeyWEBVNSKWJDFSHQ-UHFFFAOYSA-N
MW298.19 g/mol
LogP1.08
Rot. Bonds2

About 5-chloro-2-piperidin-3-ylsulfonylpyrimidine;hydrochloride

5-chloro-2-piperidin-3-ylsulfonylpyrimidine;hydrochloride (PubChem CID 71640088) has the molecular formula C9H13Cl2N3O2S and a molecular weight of 298.19 g/mol. Its IUPAC name is 5-chloro-2-piperidin-3-ylsulfonylpyrimidine;hydrochloride.

Molecular Properties

Compound Name5-chloro-2-piperidin-3-ylsulfonylpyrimidine;hydrochloride
PubChem CID71640088
Molecular FormulaC9H13Cl2N3O2S
Molecular Weight298.19 g/mol
Exact Mass297.01
IUPAC Name5-chloro-2-piperidin-3-ylsulfonylpyrimidine;hydrochloride
SMILESCl.O=S(=O)(c1ncc(Cl)cn1)C1CCCNC1
InChIInChI=1S/C9H12ClN3O2S.ClH/c10-7-4-12-9(13-5-7)16(14,15)8-2-1-3-11-6-8;/h4-5,8,11H,1-3,6H2;1H
InChIKeyWEBVNSKWJDFSHQ-UHFFFAOYSA-N
XLogP1.08
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.19
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-fluoro-2-piperidin-3-ylsulfonylpyrimidine;hydrochloride
CID 71643530
2-piperidin-3-ylsulfonylpyrimidine
CID 71645525
4-chloro-6-methyl-2-piperidin-3-ylsulfonylpyrimidine;hydrochloride
CID 71639166
2-chloro-4-piperidin-3-ylsulfonylpyrimidine
CID 71640194
3-chloro-6-[(3R)-piperidin-3-yl]sulfonylpyridazine
CID 97163638
2-chloro-5-(piperidin-3-ylsulfonylmethyl)-1,3-thiazole
CID 71640431
2-chloro-5-(piperidin-3-ylsulfonylmethyl)pyridine
CID 71639929
3-bromo-2-piperidin-3-ylsulfonylpyridine;hydrochloride
CID 90319707
4-chloro-6-methyl-2-[(3R)-pyrrolidin-3-yl]sulfonylpyrimidine;hydrochloride
CID 71639162
3-(benzenesulfonyl)piperidine;ethane
CID 142376077
(3S)-3-methylsulfonylpiperidine;hydrochloride
CID 122170301
5-chloro-2-(piperidin-3-ylmethylsulfanyl)pyrimidine;hydrochloride
CID 71640185

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-piperidin-3-ylsulfonylpyrimidine;hydrochloride?
The IUPAC name of 5-chloro-2-piperidin-3-ylsulfonylpyrimidine;hydrochloride (CID 71640088) is 5-chloro-2-piperidin-3-ylsulfonylpyrimidine;hydrochloride.
What is the SMILES notation for 5-chloro-2-piperidin-3-ylsulfonylpyrimidine;hydrochloride?
The canonical SMILES for 5-chloro-2-piperidin-3-ylsulfonylpyrimidine;hydrochloride is Cl.O=S(=O)(c1ncc(Cl)cn1)C1CCCNC1.
What is the InChIKey of 5-chloro-2-piperidin-3-ylsulfonylpyrimidine;hydrochloride?
The InChIKey is WEBVNSKWJDFSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O2S.ClH/c10-7-4-12-9(13-5-7)16(14,15)8-2-1-3-11-6-8;/h4-5,8,11H,1-3,6H2;1H.
What are the key properties of 5-chloro-2-piperidin-3-ylsulfonylpyrimidine;hydrochloride?
5-chloro-2-piperidin-3-ylsulfonylpyrimidine;hydrochloride has a molecular weight of 298.19 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-piperidin-3-ylsulfonylpyrimidine;hydrochloride is sourced from PubChem (CID 71640088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).