1-(3-methylphenyl)-N-(piperidin-3-ylmethyl)methanesulfonamide;hydrochloride

C14H23ClN2O2S — CID 119968347

IUPAC1-(3-methylphenyl)-N-(piperidin-3-ylmethyl)methanesulfonamide;hydrochloride
SMILESCc1cccc(CS(=O)(=O)NCC2CCCNC2)c1.Cl
InChIInChI=1S/C14H22N2O2S.ClH/c1-12-4-2-5-13(8-12)11-19(17,18)16-10-14-6-3-7-15-9-14;/h2,4-5,8,14-16H,3,6-7,9-11H2,1H3;1H
InChIKeyRNMJXQUOJKOCOF-UHFFFAOYSA-N
MW318.87 g/mol
LogP1.84
Rot. Bonds5

About 1-(3-methylphenyl)-N-(piperidin-3-ylmethyl)methanesulfonamide;hydrochloride

1-(3-methylphenyl)-N-(piperidin-3-ylmethyl)methanesulfonamide;hydrochloride (PubChem CID 119968347) has the molecular formula C14H23ClN2O2S and a molecular weight of 318.87 g/mol. Its IUPAC name is 1-(3-methylphenyl)-N-(piperidin-3-ylmethyl)methanesulfonamide;hydrochloride.

Molecular Properties

Compound Name1-(3-methylphenyl)-N-(piperidin-3-ylmethyl)methanesulfonamide;hydrochloride
PubChem CID119968347
Molecular FormulaC14H23ClN2O2S
Molecular Weight318.87 g/mol
Exact Mass318.12
IUPAC Name1-(3-methylphenyl)-N-(piperidin-3-ylmethyl)methanesulfonamide;hydrochloride
SMILESCc1cccc(CS(=O)(=O)NCC2CCCNC2)c1.Cl
InChIInChI=1S/C14H22N2O2S.ClH/c1-12-4-2-5-13(8-12)11-19(17,18)16-10-14-6-3-7-15-9-14;/h2,4-5,8,14-16H,3,6-7,9-11H2,1H3;1H
InChIKeyRNMJXQUOJKOCOF-UHFFFAOYSA-N
XLogP1.84
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.87
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-N-(piperidin-3-ylmethyl)methanesulfonamide;hydrochloride
CID 119968538
3-[(3-methylphenyl)methyl]piperidine
CID 17039519
(3S)-3-[(3-methylphenyl)methyl]piperidine
CID 39345685
N-[[(3R)-piperidin-3-yl]methyl]-1-pyridin-3-ylmethanesulfonamide
CID 97165901
2-(3-methylphenyl)-N-(piperidin-3-ylmethyl)ethanamine
CID 80555044
1-(3,5-dichlorophenyl)-N-(piperidin-3-ylmethyl)methanesulfonamide
CID 119968379
3-bromo-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 119968615
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-(3-methylphenyl)methanesulfonamide
CID 16887670
N-[2-(3-methylphenyl)ethyl]-2-piperidin-3-ylacetamide
CID 62690046
3-[(3-methylphenyl)methyl]pyrrolidine
CID 55252909
3-[2-(3-methylphenyl)ethylsulfonyl]piperidine
CID 115070423
2-bromo-3-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide
CID 119968293

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-N-(piperidin-3-ylmethyl)methanesulfonamide;hydrochloride?
The IUPAC name of 1-(3-methylphenyl)-N-(piperidin-3-ylmethyl)methanesulfonamide;hydrochloride (CID 119968347) is 1-(3-methylphenyl)-N-(piperidin-3-ylmethyl)methanesulfonamide;hydrochloride.
What is the SMILES notation for 1-(3-methylphenyl)-N-(piperidin-3-ylmethyl)methanesulfonamide;hydrochloride?
The canonical SMILES for 1-(3-methylphenyl)-N-(piperidin-3-ylmethyl)methanesulfonamide;hydrochloride is Cc1cccc(CS(=O)(=O)NCC2CCCNC2)c1.Cl.
What is the InChIKey of 1-(3-methylphenyl)-N-(piperidin-3-ylmethyl)methanesulfonamide;hydrochloride?
The InChIKey is RNMJXQUOJKOCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S.ClH/c1-12-4-2-5-13(8-12)11-19(17,18)16-10-14-6-3-7-15-9-14;/h2,4-5,8,14-16H,3,6-7,9-11H2,1H3;1H.
What are the key properties of 1-(3-methylphenyl)-N-(piperidin-3-ylmethyl)methanesulfonamide;hydrochloride?
1-(3-methylphenyl)-N-(piperidin-3-ylmethyl)methanesulfonamide;hydrochloride has a molecular weight of 318.87 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-N-(piperidin-3-ylmethyl)methanesulfonamide;hydrochloride is sourced from PubChem (CID 119968347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).