N-ethyl-2-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide

C15H24N2O2S — CID 106631091

IUPACN-ethyl-2-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide
SMILESCCN(CC1CCCNC1)S(=O)(=O)c1ccccc1C
InChIInChI=1S/C15H24N2O2S/c1-3-17(12-14-8-6-10-16-11-14)20(18,19)15-9-5-4-7-13(15)2/h4-5,7,9,14,16H,3,6,8,10-12H2,1-2H3
InChIKeyAURTUYULZMSZMX-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.01
Rot. Bonds5

About N-ethyl-2-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide

N-ethyl-2-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide (PubChem CID 106631091) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-ethyl-2-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-2-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide
PubChem CID106631091
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC NameN-ethyl-2-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide
SMILESCCN(CC1CCCNC1)S(=O)(=O)c1ccccc1C
InChIInChI=1S/C15H24N2O2S/c1-3-17(12-14-8-6-10-16-11-14)20(18,19)15-9-5-4-7-13(15)2/h4-5,7,9,14,16H,3,6,8,10-12H2,1-2H3
InChIKeyAURTUYULZMSZMX-UHFFFAOYSA-N
XLogP2.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-ethyl-4-methyl-N-(piperidin-3-ylmethyl)thiophene-2-sulfonamide
CID 106631097
N-(cyclopropylmethyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608711
2-[ethyl(piperidin-3-ylmethyl)amino]benzenesulfonamide
CID 106643533
N-ethyl-N-(piperidin-3-ylmethyl)-1H-imidazole-5-sulfonamide
CID 106631158
2-[ethyl(piperidin-3-ylmethyl)amino]-N-methylbenzenesulfonamide
CID 106643534
2-fluoro-N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzenesulfonamide
CID 106630902
N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzenesulfonamide
CID 106630983
4-fluoro-N-(piperidin-3-ylmethyl)-N-propylbenzenesulfonamide
CID 106631281
N-[2-(2-methylphenoxy)ethyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106637808
N-ethyl-N-(piperidin-3-ylmethyl)-2-pyridin-4-ylethanesulfonamide
CID 106631087
N-(cyclobutylmethyl)-N-ethyl-2-(hydroxymethyl)benzenesulfonamide
CID 107402685
N-[1-(2-methylphenyl)ethyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106624032

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of N-ethyl-2-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide (CID 106631091) is N-ethyl-2-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for N-ethyl-2-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for N-ethyl-2-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide is CCN(CC1CCCNC1)S(=O)(=O)c1ccccc1C.
What is the InChIKey of N-ethyl-2-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide?
The InChIKey is AURTUYULZMSZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-3-17(12-14-8-6-10-16-11-14)20(18,19)15-9-5-4-7-13(15)2/h4-5,7,9,14,16H,3,6,8,10-12H2,1-2H3.
What are the key properties of N-ethyl-2-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide?
N-ethyl-2-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 106631091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).