4-(4-amino-3-ethylpiperidin-1-yl)-N-ethylbenzenesulfonamide

C15H25N3O2S — CID 81452208

IUPAC4-(4-amino-3-ethylpiperidin-1-yl)-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(N2CCC(N)C(CC)C2)cc1
InChIInChI=1S/C15H25N3O2S/c1-3-12-11-18(10-9-15(12)16)13-5-7-14(8-6-13)21(19,20)17-4-2/h5-8,12,15,17H,3-4,9-11,16H2,1-2H3
InChIKeyWWJINWBFXZSSKC-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.55
Rot. Bonds5

About 4-(4-amino-3-ethylpiperidin-1-yl)-N-ethylbenzenesulfonamide

4-(4-amino-3-ethylpiperidin-1-yl)-N-ethylbenzenesulfonamide (PubChem CID 81452208) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 4-(4-amino-3-ethylpiperidin-1-yl)-N-ethylbenzenesulfonamide.

Molecular Properties

Compound Name4-(4-amino-3-ethylpiperidin-1-yl)-N-ethylbenzenesulfonamide
PubChem CID81452208
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name4-(4-amino-3-ethylpiperidin-1-yl)-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(N2CCC(N)C(CC)C2)cc1
InChIInChI=1S/C15H25N3O2S/c1-3-12-11-18(10-9-15(12)16)13-5-7-14(8-6-13)21(19,20)17-4-2/h5-8,12,15,17H,3-4,9-11,16H2,1-2H3
InChIKeyWWJINWBFXZSSKC-UHFFFAOYSA-N
XLogP1.55
TPSA75.43 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 ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3-ethylpiperidin-1-yl)-N-ethylbenzenesulfonamide?
The IUPAC name of 4-(4-amino-3-ethylpiperidin-1-yl)-N-ethylbenzenesulfonamide (CID 81452208) is 4-(4-amino-3-ethylpiperidin-1-yl)-N-ethylbenzenesulfonamide.
What is the SMILES notation for 4-(4-amino-3-ethylpiperidin-1-yl)-N-ethylbenzenesulfonamide?
The canonical SMILES for 4-(4-amino-3-ethylpiperidin-1-yl)-N-ethylbenzenesulfonamide is CCNS(=O)(=O)c1ccc(N2CCC(N)C(CC)C2)cc1.
What is the InChIKey of 4-(4-amino-3-ethylpiperidin-1-yl)-N-ethylbenzenesulfonamide?
The InChIKey is WWJINWBFXZSSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-3-12-11-18(10-9-15(12)16)13-5-7-14(8-6-13)21(19,20)17-4-2/h5-8,12,15,17H,3-4,9-11,16H2,1-2H3.
What are the key properties of 4-(4-amino-3-ethylpiperidin-1-yl)-N-ethylbenzenesulfonamide?
4-(4-amino-3-ethylpiperidin-1-yl)-N-ethylbenzenesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-3-ethylpiperidin-1-yl)-N-ethylbenzenesulfonamide is sourced from PubChem (CID 81452208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).