5-methylsulfonyl-2-[[(1S,2R)-2-piperidin-4-ylcyclopropyl]methoxymethyl]pyridine;hydrochloride

C16H25ClN2O3S — CID 118271996

IUPAC5-methylsulfonyl-2-[[(1S,2R)-2-piperidin-4-ylcyclopropyl]methoxymethyl]pyridine;hydrochloride
SMILESCS(=O)(=O)c1ccc(COC[C@H]2C[C@@H]2C2CCNCC2)nc1.Cl
InChIInChI=1S/C16H24N2O3S.ClH/c1-22(19,20)15-3-2-14(18-9-15)11-21-10-13-8-16(13)12-4-6-17-7-5-12;/h2-3,9,12-13,16-17H,4-8,10-11H2,1H3;1H/t13-,16-;/m1./s1
InChIKeyATMJCYVIQBZERQ-OALZAMAHSA-N
MW360.91 g/mol
LogP2.06
Rot. Bonds6

About 5-methylsulfonyl-2-[[(1S,2R)-2-piperidin-4-ylcyclopropyl]methoxymethyl]pyridine;hydrochloride

5-methylsulfonyl-2-[[(1S,2R)-2-piperidin-4-ylcyclopropyl]methoxymethyl]pyridine;hydrochloride (PubChem CID 118271996) has the molecular formula C16H25ClN2O3S and a molecular weight of 360.91 g/mol. Its IUPAC name is 5-methylsulfonyl-2-[[(1S,2R)-2-piperidin-4-ylcyclopropyl]methoxymethyl]pyridine;hydrochloride.

Molecular Properties

Compound Name5-methylsulfonyl-2-[[(1S,2R)-2-piperidin-4-ylcyclopropyl]methoxymethyl]pyridine;hydrochloride
PubChem CID118271996
Molecular FormulaC16H25ClN2O3S
Molecular Weight360.91 g/mol
Exact Mass360.13
IUPAC Name5-methylsulfonyl-2-[[(1S,2R)-2-piperidin-4-ylcyclopropyl]methoxymethyl]pyridine;hydrochloride
SMILESCS(=O)(=O)c1ccc(COC[C@H]2C[C@@H]2C2CCNCC2)nc1.Cl
InChIInChI=1S/C16H24N2O3S.ClH/c1-22(19,20)15-3-2-14(18-9-15)11-21-10-13-8-16(13)12-4-6-17-7-5-12;/h2-3,9,12-13,16-17H,4-8,10-11H2,1H3;1H/t13-,16-;/m1./s1
InChIKeyATMJCYVIQBZERQ-OALZAMAHSA-N
XLogP2.06
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.91
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methylsulfonyl-2-[[(1S,2R)-2-piperidin-4-ylcyclopropyl]methoxymethyl]pyridine;hydrochloride?
The IUPAC name of 5-methylsulfonyl-2-[[(1S,2R)-2-piperidin-4-ylcyclopropyl]methoxymethyl]pyridine;hydrochloride (CID 118271996) is 5-methylsulfonyl-2-[[(1S,2R)-2-piperidin-4-ylcyclopropyl]methoxymethyl]pyridine;hydrochloride.
What is the SMILES notation for 5-methylsulfonyl-2-[[(1S,2R)-2-piperidin-4-ylcyclopropyl]methoxymethyl]pyridine;hydrochloride?
The canonical SMILES for 5-methylsulfonyl-2-[[(1S,2R)-2-piperidin-4-ylcyclopropyl]methoxymethyl]pyridine;hydrochloride is CS(=O)(=O)c1ccc(COC[C@H]2C[C@@H]2C2CCNCC2)nc1.Cl.
What is the InChIKey of 5-methylsulfonyl-2-[[(1S,2R)-2-piperidin-4-ylcyclopropyl]methoxymethyl]pyridine;hydrochloride?
The InChIKey is ATMJCYVIQBZERQ-OALZAMAHSA-N. The full InChI is InChI=1S/C16H24N2O3S.ClH/c1-22(19,20)15-3-2-14(18-9-15)11-21-10-13-8-16(13)12-4-6-17-7-5-12;/h2-3,9,12-13,16-17H,4-8,10-11H2,1H3;1H/t13-,16-;/m1./s1.
What are the key properties of 5-methylsulfonyl-2-[[(1S,2R)-2-piperidin-4-ylcyclopropyl]methoxymethyl]pyridine;hydrochloride?
5-methylsulfonyl-2-[[(1S,2R)-2-piperidin-4-ylcyclopropyl]methoxymethyl]pyridine;hydrochloride has a molecular weight of 360.91 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfonyl-2-[[(1S,2R)-2-piperidin-4-ylcyclopropyl]methoxymethyl]pyridine;hydrochloride is sourced from PubChem (CID 118271996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).