N-(3-methoxyphenyl)-2-piperidin-2-ylethanesulfonamide

C14H22N2O3S — CID 60864201

IUPACN-(3-methoxyphenyl)-2-piperidin-2-ylethanesulfonamide
SMILESCOc1cccc(NS(=O)(=O)CCC2CCCCN2)c1
InChIInChI=1S/C14H22N2O3S/c1-19-14-7-4-6-13(11-14)16-20(17,18)10-8-12-5-2-3-9-15-12/h4,6-7,11-12,15-16H,2-3,5,8-10H2,1H3
InChIKeyPAXMXAHZYYOMGV-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.97
Rot. Bonds6

About N-(3-methoxyphenyl)-2-piperidin-2-ylethanesulfonamide

N-(3-methoxyphenyl)-2-piperidin-2-ylethanesulfonamide (PubChem CID 60864201) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-piperidin-2-ylethanesulfonamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-piperidin-2-ylethanesulfonamide
PubChem CID60864201
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-(3-methoxyphenyl)-2-piperidin-2-ylethanesulfonamide
SMILESCOc1cccc(NS(=O)(=O)CCC2CCCCN2)c1
InChIInChI=1S/C14H22N2O3S/c1-19-14-7-4-6-13(11-14)16-20(17,18)10-8-12-5-2-3-9-15-12/h4,6-7,11-12,15-16H,2-3,5,8-10H2,1H3
InChIKeyPAXMXAHZYYOMGV-UHFFFAOYSA-N
XLogP1.97
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluorophenyl)-2-piperidin-2-ylethanesulfonamide
CID 60865299
N-(4-methoxyphenyl)-2-pyrrolidin-2-ylethanesulfonamide
CID 115071361
3-methoxy-N-(pyrrolidin-2-ylmethyl)aniline
CID 75062155
2-hydroxy-N-(3-methoxyphenyl)ethanesulfonamide
CID 79026619
2-[2-(3-methoxyphenyl)ethyl]azepane
CID 113443145
2-piperidin-2-yl-N-thiophen-3-ylethanesulfonamide
CID 66353750
N-(2-chloro-6-methylphenyl)-2-piperidin-2-ylethanesulfonamide
CID 66256676
N-(3-bromo-2-methylphenyl)-2-piperidin-2-ylethanesulfonamide
CID 107626693
N-(3-methoxyphenyl)-2-[methyl(piperidin-2-ylmethyl)amino]acetamide
CID 106635727
(2R)-N-(3-methoxyphenyl)azepane-2-carboxamide
CID 124509646
N-(2-methylsulfanylphenyl)-2-piperidin-2-ylethanesulfonamide
CID 107642155
2-[2-[2-(3-methoxyphenoxy)ethoxy]ethyl]piperidine
CID 82354047

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-piperidin-2-ylethanesulfonamide?
The IUPAC name of N-(3-methoxyphenyl)-2-piperidin-2-ylethanesulfonamide (CID 60864201) is N-(3-methoxyphenyl)-2-piperidin-2-ylethanesulfonamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-piperidin-2-ylethanesulfonamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-piperidin-2-ylethanesulfonamide is COc1cccc(NS(=O)(=O)CCC2CCCCN2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-piperidin-2-ylethanesulfonamide?
The InChIKey is PAXMXAHZYYOMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-19-14-7-4-6-13(11-14)16-20(17,18)10-8-12-5-2-3-9-15-12/h4,6-7,11-12,15-16H,2-3,5,8-10H2,1H3.
What are the key properties of N-(3-methoxyphenyl)-2-piperidin-2-ylethanesulfonamide?
N-(3-methoxyphenyl)-2-piperidin-2-ylethanesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-piperidin-2-ylethanesulfonamide is sourced from PubChem (CID 60864201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).