N-ethyl-2,4-dimethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide

C16H26N2O2S — CID 106630272

IUPACN-ethyl-2,4-dimethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
SMILESCCN(CC1CCCCN1)S(=O)(=O)c1ccc(C)cc1C
InChIInChI=1S/C16H26N2O2S/c1-4-18(12-15-7-5-6-10-17-15)21(19,20)16-9-8-13(2)11-14(16)3/h8-9,11,15,17H,4-7,10,12H2,1-3H3
InChIKeyJVJBZAHTQCHZKM-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.46
Rot. Bonds5

About N-ethyl-2,4-dimethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide

N-ethyl-2,4-dimethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide (PubChem CID 106630272) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is N-ethyl-2,4-dimethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-2,4-dimethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
PubChem CID106630272
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC NameN-ethyl-2,4-dimethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
SMILESCCN(CC1CCCCN1)S(=O)(=O)c1ccc(C)cc1C
InChIInChI=1S/C16H26N2O2S/c1-4-18(12-15-7-5-6-10-17-15)21(19,20)16-9-8-13(2)11-14(16)3/h8-9,11,15,17H,4-7,10,12H2,1-3H3
InChIKeyJVJBZAHTQCHZKM-UHFFFAOYSA-N
XLogP2.46
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-ethyl-4-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608100
3-chloro-N-ethyl-2-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630366
N-(2-hydroxyethyl)-2,5-dimethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106610343
3,4-dichloro-N-ethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630300
2-fluoro-N,5-dimethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630409
2-chloro-4-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608125
N-(cyclopropylmethyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608711
4-chloro-N,2-dimethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106607116
N-(2-hydroxyethyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106610190
4-cyano-N-ethyl-3-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106920662
N-[(2,5-dimethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603290
N-(2-aminoethyl)-N-ethyl-2,4-dimethylbenzenesulfonamide
CID 28707755

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,4-dimethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of N-ethyl-2,4-dimethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide (CID 106630272) is N-ethyl-2,4-dimethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for N-ethyl-2,4-dimethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for N-ethyl-2,4-dimethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide is CCN(CC1CCCCN1)S(=O)(=O)c1ccc(C)cc1C.
What is the InChIKey of N-ethyl-2,4-dimethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide?
The InChIKey is JVJBZAHTQCHZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-4-18(12-15-7-5-6-10-17-15)21(19,20)16-9-8-13(2)11-14(16)3/h8-9,11,15,17H,4-7,10,12H2,1-3H3.
What are the key properties of N-ethyl-2,4-dimethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide?
N-ethyl-2,4-dimethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide has a molecular weight of 310.46 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,4-dimethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 106630272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).