2-(piperidin-2-ylmethoxy)-N-propylbenzenesulfonamide

C15H24N2O3S — CID 62349027

IUPAC2-(piperidin-2-ylmethoxy)-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccccc1OCC1CCCCN1
InChIInChI=1S/C15H24N2O3S/c1-2-10-17-21(18,19)15-9-4-3-8-14(15)20-12-13-7-5-6-11-16-13/h3-4,8-9,13,16-17H,2,5-7,10-12H2,1H3
InChIKeyPYNJATRSRAMDRU-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.90
Rot. Bonds7

About 2-(piperidin-2-ylmethoxy)-N-propylbenzenesulfonamide

2-(piperidin-2-ylmethoxy)-N-propylbenzenesulfonamide (PubChem CID 62349027) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-(piperidin-2-ylmethoxy)-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name2-(piperidin-2-ylmethoxy)-N-propylbenzenesulfonamide
PubChem CID62349027
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name2-(piperidin-2-ylmethoxy)-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccccc1OCC1CCCCN1
InChIInChI=1S/C15H24N2O3S/c1-2-10-17-21(18,19)15-9-4-3-8-14(15)20-12-13-7-5-6-11-16-13/h3-4,8-9,13,16-17H,2,5-7,10-12H2,1H3
InChIKeyPYNJATRSRAMDRU-UHFFFAOYSA-N
XLogP1.90
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-(piperidin-2-ylmethoxy)benzenesulfonamide
CID 62349156
2-(piperidin-3-ylmethoxy)-N-propylbenzenesulfonamide
CID 62348183
2-methoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide
CID 104972561
2-(morpholin-2-ylmethoxy)-N-propylbenzenesulfonamide
CID 114469155
2-methoxy-N-propylbenzenesulfonamide
CID 23128752
2-(2-aminoethoxy)-N-propylbenzenesulfonamide
CID 62349526
2-[(2,3-dimethylphenoxy)methyl]piperidine
CID 43823216
[2-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]methanol
CID 102820156
2-[(2-propoxyphenyl)methyl]piperidine
CID 104662380
(2S)-2-[(2-propan-2-ylphenoxy)methyl]pyrrolidine
CID 28750009
(2S)-2-[(2-phenylphenoxy)methyl]pyrrolidine
CID 28750068
2-[(2-hydroxycyclohexyl)amino]-N-propylbenzenesulfonamide
CID 62359065

Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-2-ylmethoxy)-N-propylbenzenesulfonamide?
The IUPAC name of 2-(piperidin-2-ylmethoxy)-N-propylbenzenesulfonamide (CID 62349027) is 2-(piperidin-2-ylmethoxy)-N-propylbenzenesulfonamide.
What is the SMILES notation for 2-(piperidin-2-ylmethoxy)-N-propylbenzenesulfonamide?
The canonical SMILES for 2-(piperidin-2-ylmethoxy)-N-propylbenzenesulfonamide is CCCNS(=O)(=O)c1ccccc1OCC1CCCCN1.
What is the InChIKey of 2-(piperidin-2-ylmethoxy)-N-propylbenzenesulfonamide?
The InChIKey is PYNJATRSRAMDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-2-10-17-21(18,19)15-9-4-3-8-14(15)20-12-13-7-5-6-11-16-13/h3-4,8-9,13,16-17H,2,5-7,10-12H2,1H3.
What are the key properties of 2-(piperidin-2-ylmethoxy)-N-propylbenzenesulfonamide?
2-(piperidin-2-ylmethoxy)-N-propylbenzenesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-2-ylmethoxy)-N-propylbenzenesulfonamide is sourced from PubChem (CID 62349027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).