2-(piperidin-2-ylmethylsulfonyl)pyrazine;hydrochloride

C10H16ClN3O2S — CID 71645679

IUPAC2-(piperidin-2-ylmethylsulfonyl)pyrazine;hydrochloride
SMILESCl.O=S(=O)(CC1CCCCN1)c1cnccn1
InChIInChI=1S/C10H15N3O2S.ClH/c14-16(15,10-7-11-5-6-13-10)8-9-3-1-2-4-12-9;/h5-7,9,12H,1-4,8H2;1H
InChIKeyVFOOZNSRUBVURY-UHFFFAOYSA-N
MW277.78 g/mol
LogP0.81
Rot. Bonds3

About 2-(piperidin-2-ylmethylsulfonyl)pyrazine;hydrochloride

2-(piperidin-2-ylmethylsulfonyl)pyrazine;hydrochloride (PubChem CID 71645679) has the molecular formula C10H16ClN3O2S and a molecular weight of 277.78 g/mol. Its IUPAC name is 2-(piperidin-2-ylmethylsulfonyl)pyrazine;hydrochloride.

Molecular Properties

Compound Name2-(piperidin-2-ylmethylsulfonyl)pyrazine;hydrochloride
PubChem CID71645679
Molecular FormulaC10H16ClN3O2S
Molecular Weight277.78 g/mol
Exact Mass277.07
IUPAC Name2-(piperidin-2-ylmethylsulfonyl)pyrazine;hydrochloride
SMILESCl.O=S(=O)(CC1CCCCN1)c1cnccn1
InChIInChI=1S/C10H15N3O2S.ClH/c14-16(15,10-7-11-5-6-13-10)8-9-3-1-2-4-12-9;/h5-7,9,12H,1-4,8H2;1H
InChIKeyVFOOZNSRUBVURY-UHFFFAOYSA-N
XLogP0.81
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.78
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-3-[[(2S)-piperidin-2-yl]methylsulfonyl]pyrazine
CID 97162673
(1S)-N-[[(2S)-piperidin-2-yl]methyl]-1-pyrazin-2-ylethanesulfonamide
CID 97162101
2-(pyrrolidin-2-ylmethylsulfonyl)pyrimidine
CID 71645712
3-methyl-6-[[(2S)-piperidin-2-yl]methylsulfonyl]pyridazine
CID 97162931
4-methyl-2-(piperidin-2-ylmethylsulfonyl)pyrimidine;hydrochloride
CID 71638944
(2R)-2-[(4-bromophenyl)sulfonylmethyl]piperidine
CID 97301336
2-(piperidin-2-ylmethylsulfonyl)pyridine-3-carbonitrile;hydrochloride
CID 71645669
2-[1-(piperidin-2-ylmethoxy)ethyl]pyrazine;hydrochloride
CID 71637955
2-bromo-6-(pyrrolidin-2-ylmethylsulfonyl)pyridine;hydrochloride
CID 71636411
4-[[(2S)-piperidin-2-yl]methylsulfonylmethyl]pyridine
CID 97165941
N-(piperidin-2-ylmethyl)-1-pyrazin-2-ylethanamine
CID 71637820
N-methyl-1-[(2R)-piperidin-2-yl]-N-(pyrazin-2-ylmethyl)methanamine
CID 97164246

Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-2-ylmethylsulfonyl)pyrazine;hydrochloride?
The IUPAC name of 2-(piperidin-2-ylmethylsulfonyl)pyrazine;hydrochloride (CID 71645679) is 2-(piperidin-2-ylmethylsulfonyl)pyrazine;hydrochloride.
What is the SMILES notation for 2-(piperidin-2-ylmethylsulfonyl)pyrazine;hydrochloride?
The canonical SMILES for 2-(piperidin-2-ylmethylsulfonyl)pyrazine;hydrochloride is Cl.O=S(=O)(CC1CCCCN1)c1cnccn1.
What is the InChIKey of 2-(piperidin-2-ylmethylsulfonyl)pyrazine;hydrochloride?
The InChIKey is VFOOZNSRUBVURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S.ClH/c14-16(15,10-7-11-5-6-13-10)8-9-3-1-2-4-12-9;/h5-7,9,12H,1-4,8H2;1H.
What are the key properties of 2-(piperidin-2-ylmethylsulfonyl)pyrazine;hydrochloride?
2-(piperidin-2-ylmethylsulfonyl)pyrazine;hydrochloride has a molecular weight of 277.78 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-2-ylmethylsulfonyl)pyrazine;hydrochloride is sourced from PubChem (CID 71645679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).