6-[(1-benzylpiperidin-4-yl)amino]-N,N-diethylpyridine-3-sulfonamide

C21H30N4O2S — CID 4963680

IUPAC6-[(1-benzylpiperidin-4-yl)amino]-N,N-diethylpyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC2CCN(Cc3ccccc3)CC2)nc1
InChIInChI=1S/C21H30N4O2S/c1-3-25(4-2)28(26,27)20-10-11-21(22-16-20)23-19-12-14-24(15-13-19)17-18-8-6-5-7-9-18/h5-11,16,19H,3-4,12-15,17H2,1-2H3,(H,22,23)
InChIKeyMHIYIOCEGBYEOT-UHFFFAOYSA-N
MW402.56 g/mol
LogP3.19
Rot. Bonds8

About 6-[(1-benzylpiperidin-4-yl)amino]-N,N-diethylpyridine-3-sulfonamide

6-[(1-benzylpiperidin-4-yl)amino]-N,N-diethylpyridine-3-sulfonamide (PubChem CID 4963680) has the molecular formula C21H30N4O2S and a molecular weight of 402.56 g/mol. Its IUPAC name is 6-[(1-benzylpiperidin-4-yl)amino]-N,N-diethylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[(1-benzylpiperidin-4-yl)amino]-N,N-diethylpyridine-3-sulfonamide
PubChem CID4963680
Molecular FormulaC21H30N4O2S
Molecular Weight402.56 g/mol
Exact Mass402.21
IUPAC Name6-[(1-benzylpiperidin-4-yl)amino]-N,N-diethylpyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC2CCN(Cc3ccccc3)CC2)nc1
InChIInChI=1S/C21H30N4O2S/c1-3-25(4-2)28(26,27)20-10-11-21(22-16-20)23-19-12-14-24(15-13-19)17-18-8-6-5-7-9-18/h5-11,16,19H,3-4,12-15,17H2,1-2H3,(H,22,23)
InChIKeyMHIYIOCEGBYEOT-UHFFFAOYSA-N
XLogP3.19
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.56
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(1-benzylpiperidin-4-yl)amino]-N,N-diethylpyridine-3-sulfonamide?
The IUPAC name of 6-[(1-benzylpiperidin-4-yl)amino]-N,N-diethylpyridine-3-sulfonamide (CID 4963680) is 6-[(1-benzylpiperidin-4-yl)amino]-N,N-diethylpyridine-3-sulfonamide.
What is the SMILES notation for 6-[(1-benzylpiperidin-4-yl)amino]-N,N-diethylpyridine-3-sulfonamide?
The canonical SMILES for 6-[(1-benzylpiperidin-4-yl)amino]-N,N-diethylpyridine-3-sulfonamide is CCN(CC)S(=O)(=O)c1ccc(NC2CCN(Cc3ccccc3)CC2)nc1.
What is the InChIKey of 6-[(1-benzylpiperidin-4-yl)amino]-N,N-diethylpyridine-3-sulfonamide?
The InChIKey is MHIYIOCEGBYEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2S/c1-3-25(4-2)28(26,27)20-10-11-21(22-16-20)23-19-12-14-24(15-13-19)17-18-8-6-5-7-9-18/h5-11,16,19H,3-4,12-15,17H2,1-2H3,(H,22,23).
What are the key properties of 6-[(1-benzylpiperidin-4-yl)amino]-N,N-diethylpyridine-3-sulfonamide?
6-[(1-benzylpiperidin-4-yl)amino]-N,N-diethylpyridine-3-sulfonamide has a molecular weight of 402.56 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-benzylpiperidin-4-yl)amino]-N,N-diethylpyridine-3-sulfonamide is sourced from PubChem (CID 4963680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).