2-piperidin-1-ium-1-yl-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide

C17H26N3O3S+ — CID 8894737

IUPAC2-piperidin-1-ium-1-yl-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESO=C(C[NH+]1CCCCC1)Nc1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C17H25N3O3S/c21-17(14-19-9-2-1-3-10-19)18-15-7-6-8-16(13-15)24(22,23)20-11-4-5-12-20/h6-8,13H,1-5,9-12,14H2,(H,18,21)/p+1
InChIKeyFLSGPEDGYJHGRU-UHFFFAOYSA-O
MW352.48 g/mol
LogP0.48
Rot. Bonds5

About 2-piperidin-1-ium-1-yl-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide

2-piperidin-1-ium-1-yl-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide (PubChem CID 8894737) has the molecular formula C17H26N3O3S+ and a molecular weight of 352.48 g/mol. Its IUPAC name is 2-piperidin-1-ium-1-yl-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-piperidin-1-ium-1-yl-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
PubChem CID8894737
Molecular FormulaC17H26N3O3S+
Molecular Weight352.48 g/mol
Exact Mass352.17
IUPAC Name2-piperidin-1-ium-1-yl-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESO=C(C[NH+]1CCCCC1)Nc1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C17H25N3O3S/c21-17(14-19-9-2-1-3-10-19)18-15-7-6-8-16(13-15)24(22,23)20-11-4-5-12-20/h6-8,13H,1-5,9-12,14H2,(H,18,21)/p+1
InChIKeyFLSGPEDGYJHGRU-UHFFFAOYSA-O
XLogP0.48
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3R)-3-methylpiperidin-1-ium-1-yl]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 8903503
2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 8903505
2-bromo-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 60651214
N-[3-(azepan-1-ylsulfonyl)phenyl]-2-phenylacetamide
CID 4785250
2-(azepan-1-ium-1-yl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 8895996
4-amino-N-(3-piperidin-1-ylsulfonylphenyl)butanamide
CID 119262517
N-(3-piperidin-1-ylsulfonylphenyl)pentanamide
CID 8883555
N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-piperidin-1-ium-1-ylacetamide
CID 8894842
2-ethoxy-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 35728244
2-(4-aza-1-azoniabicyclo[2.2.2]octan-1-yl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 8717458
2-(4-methylpiperazine-1,4-diium-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 6971322
2-naphthalen-1-yl-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 7926207

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ium-1-yl-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-piperidin-1-ium-1-yl-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide (CID 8894737) is 2-piperidin-1-ium-1-yl-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-piperidin-1-ium-1-yl-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-piperidin-1-ium-1-yl-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide is O=C(C[NH+]1CCCCC1)Nc1cccc(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of 2-piperidin-1-ium-1-yl-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is FLSGPEDGYJHGRU-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H25N3O3S/c21-17(14-19-9-2-1-3-10-19)18-15-7-6-8-16(13-15)24(22,23)20-11-4-5-12-20/h6-8,13H,1-5,9-12,14H2,(H,18,21)/p+1.
What are the key properties of 2-piperidin-1-ium-1-yl-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
2-piperidin-1-ium-1-yl-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 352.48 g/mol, XLogP of 0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ium-1-yl-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 8894737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).