4-(ethylamino)-2,6-dimethyl-N-piperidin-1-ylbenzenesulfonamide

C15H25N3O2S — CID 107329086

IUPAC4-(ethylamino)-2,6-dimethyl-N-piperidin-1-ylbenzenesulfonamide
SMILESCCNc1cc(C)c(S(=O)(=O)NN2CCCCC2)c(C)c1
InChIInChI=1S/C15H25N3O2S/c1-4-16-14-10-12(2)15(13(3)11-14)21(19,20)17-18-8-6-5-7-9-18/h10-11,16-17H,4-9H2,1-3H3
InChIKeySBRJLKYWUBSHGO-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.41
Rot. Bonds5

About 4-(ethylamino)-2,6-dimethyl-N-piperidin-1-ylbenzenesulfonamide

4-(ethylamino)-2,6-dimethyl-N-piperidin-1-ylbenzenesulfonamide (PubChem CID 107329086) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 4-(ethylamino)-2,6-dimethyl-N-piperidin-1-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-(ethylamino)-2,6-dimethyl-N-piperidin-1-ylbenzenesulfonamide
PubChem CID107329086
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name4-(ethylamino)-2,6-dimethyl-N-piperidin-1-ylbenzenesulfonamide
SMILESCCNc1cc(C)c(S(=O)(=O)NN2CCCCC2)c(C)c1
InChIInChI=1S/C15H25N3O2S/c1-4-16-14-10-12(2)15(13(3)11-14)21(19,20)17-18-8-6-5-7-9-18/h10-11,16-17H,4-9H2,1-3H3
InChIKeySBRJLKYWUBSHGO-UHFFFAOYSA-N
XLogP2.41
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(ethylamino)-N,2,6-trimethylbenzenesulfonamide
CID 107328529
4-(ethylamino)-2,6-dimethyl-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106331206
4-(ethylamino)-2,6-dimethyl-N-phenylbenzenesulfonamide
CID 107328484
4-(ethylamino)-2,6-dimethyl-N-(1-methylpyrazol-4-yl)benzenesulfonamide
CID 107328677
2-amino-4,5-dimethyl-N-piperidin-1-ylbenzenesulfonamide
CID 83012282
2-(ethylamino)-N-piperidin-1-ylpyrimidine-5-sulfonamide
CID 83022830
N-(2-cyclobutylethyl)-4-(ethylamino)-2,6-dimethylbenzenesulfonamide
CID 107329148
N-ethyl-3,5-dimethyl-4-(3-methylpiperidin-1-yl)sulfonylaniline
CID 107328540
4-(ethylamino)-2,6-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide
CID 107328661
4-(ethylaminomethyl)-2,5-dimethyl-N-piperidin-1-ylfuran-3-sulfonamide
CID 106075393
4-amino-2,6-dimethyl-N-(4-methylpiperazin-1-yl)benzenesulfonamide
CID 83012679
4-(ethylamino)-2,6-dimethyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 107328918

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-2,6-dimethyl-N-piperidin-1-ylbenzenesulfonamide?
The IUPAC name of 4-(ethylamino)-2,6-dimethyl-N-piperidin-1-ylbenzenesulfonamide (CID 107329086) is 4-(ethylamino)-2,6-dimethyl-N-piperidin-1-ylbenzenesulfonamide.
What is the SMILES notation for 4-(ethylamino)-2,6-dimethyl-N-piperidin-1-ylbenzenesulfonamide?
The canonical SMILES for 4-(ethylamino)-2,6-dimethyl-N-piperidin-1-ylbenzenesulfonamide is CCNc1cc(C)c(S(=O)(=O)NN2CCCCC2)c(C)c1.
What is the InChIKey of 4-(ethylamino)-2,6-dimethyl-N-piperidin-1-ylbenzenesulfonamide?
The InChIKey is SBRJLKYWUBSHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-4-16-14-10-12(2)15(13(3)11-14)21(19,20)17-18-8-6-5-7-9-18/h10-11,16-17H,4-9H2,1-3H3.
What are the key properties of 4-(ethylamino)-2,6-dimethyl-N-piperidin-1-ylbenzenesulfonamide?
4-(ethylamino)-2,6-dimethyl-N-piperidin-1-ylbenzenesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-2,6-dimethyl-N-piperidin-1-ylbenzenesulfonamide is sourced from PubChem (CID 107329086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).