N-(2-methylsulfanylphenyl)-2-piperidin-2-ylethanesulfonamide

C14H22N2O2S2 — CID 107642155

IUPACN-(2-methylsulfanylphenyl)-2-piperidin-2-ylethanesulfonamide
SMILESCSc1ccccc1NS(=O)(=O)CCC1CCCCN1
InChIInChI=1S/C14H22N2O2S2/c1-19-14-8-3-2-7-13(14)16-20(17,18)11-9-12-6-4-5-10-15-12/h2-3,7-8,12,15-16H,4-6,9-11H2,1H3
InChIKeyMHBZUNOEJINORU-UHFFFAOYSA-N
MW314.48 g/mol
LogP2.68
Rot. Bonds6

About N-(2-methylsulfanylphenyl)-2-piperidin-2-ylethanesulfonamide

N-(2-methylsulfanylphenyl)-2-piperidin-2-ylethanesulfonamide (PubChem CID 107642155) has the molecular formula C14H22N2O2S2 and a molecular weight of 314.48 g/mol. Its IUPAC name is N-(2-methylsulfanylphenyl)-2-piperidin-2-ylethanesulfonamide.

Molecular Properties

Compound NameN-(2-methylsulfanylphenyl)-2-piperidin-2-ylethanesulfonamide
PubChem CID107642155
Molecular FormulaC14H22N2O2S2
Molecular Weight314.48 g/mol
Exact Mass314.11
IUPAC NameN-(2-methylsulfanylphenyl)-2-piperidin-2-ylethanesulfonamide
SMILESCSc1ccccc1NS(=O)(=O)CCC1CCCCN1
InChIInChI=1S/C14H22N2O2S2/c1-19-14-8-3-2-7-13(14)16-20(17,18)11-9-12-6-4-5-10-15-12/h2-3,7-8,12,15-16H,4-6,9-11H2,1H3
InChIKeyMHBZUNOEJINORU-UHFFFAOYSA-N
XLogP2.68
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.48
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromo-2-methylphenyl)-2-piperidin-2-ylethanesulfonamide
CID 107626693
N-(2,5-difluoro-4-methylphenyl)-2-piperidin-2-ylethanesulfonamide
CID 103586278
N-(2-hydroxyphenyl)-1-piperidin-2-ylmethanesulfonamide
CID 115071292
2-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)aniline
CID 106637178
N-(3-fluorophenyl)-2-piperidin-2-ylethanesulfonamide
CID 60865299
N-(2-chloro-6-methylphenyl)-2-piperidin-2-ylethanesulfonamide
CID 66256676
(2S)-2-[2-(benzenesulfonyl)ethyl]piperidine
CID 7061650
N-(3-methoxyphenyl)-2-piperidin-2-ylethanesulfonamide
CID 60864201
2-piperidin-2-yl-N-thiophen-3-ylethanesulfonamide
CID 66353750
2-[2-(benzenesulfonyl)ethyl]piperidine;hydrochloride
CID 24747372
N-(4-bromo-2,6-difluorophenyl)-2-piperidin-2-ylethanesulfonamide
CID 65499786
N-(5-methyl-1,2-oxazol-3-yl)-2-piperidin-2-ylethanesulfonamide
CID 54973736

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylphenyl)-2-piperidin-2-ylethanesulfonamide?
The IUPAC name of N-(2-methylsulfanylphenyl)-2-piperidin-2-ylethanesulfonamide (CID 107642155) is N-(2-methylsulfanylphenyl)-2-piperidin-2-ylethanesulfonamide.
What is the SMILES notation for N-(2-methylsulfanylphenyl)-2-piperidin-2-ylethanesulfonamide?
The canonical SMILES for N-(2-methylsulfanylphenyl)-2-piperidin-2-ylethanesulfonamide is CSc1ccccc1NS(=O)(=O)CCC1CCCCN1.
What is the InChIKey of N-(2-methylsulfanylphenyl)-2-piperidin-2-ylethanesulfonamide?
The InChIKey is MHBZUNOEJINORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S2/c1-19-14-8-3-2-7-13(14)16-20(17,18)11-9-12-6-4-5-10-15-12/h2-3,7-8,12,15-16H,4-6,9-11H2,1H3.
What are the key properties of N-(2-methylsulfanylphenyl)-2-piperidin-2-ylethanesulfonamide?
N-(2-methylsulfanylphenyl)-2-piperidin-2-ylethanesulfonamide has a molecular weight of 314.48 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylphenyl)-2-piperidin-2-ylethanesulfonamide is sourced from PubChem (CID 107642155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).