2-(piperidin-3-ylmethoxy)-N-propylbenzenesulfonamide

C15H24N2O3S — CID 62348183

IUPAC2-(piperidin-3-ylmethoxy)-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccccc1OCC1CCCNC1
InChIInChI=1S/C15H24N2O3S/c1-2-9-17-21(18,19)15-8-4-3-7-14(15)20-12-13-6-5-10-16-11-13/h3-4,7-8,13,16-17H,2,5-6,9-12H2,1H3
InChIKeyXKNDCMZAJTWJPJ-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.75
Rot. Bonds7

About 2-(piperidin-3-ylmethoxy)-N-propylbenzenesulfonamide

2-(piperidin-3-ylmethoxy)-N-propylbenzenesulfonamide (PubChem CID 62348183) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-(piperidin-3-ylmethoxy)-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name2-(piperidin-3-ylmethoxy)-N-propylbenzenesulfonamide
PubChem CID62348183
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name2-(piperidin-3-ylmethoxy)-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccccc1OCC1CCCNC1
InChIInChI=1S/C15H24N2O3S/c1-2-9-17-21(18,19)15-8-4-3-7-14(15)20-12-13-6-5-10-16-11-13/h3-4,7-8,13,16-17H,2,5-6,9-12H2,1H3
InChIKeyXKNDCMZAJTWJPJ-UHFFFAOYSA-N
XLogP1.75
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 ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-methylsulfonylphenoxy)methyl]piperidine
CID 62348042
2-(morpholin-2-ylmethoxy)-N-propylbenzenesulfonamide
CID 114469155
2-(piperidin-2-ylmethoxy)-N-propylbenzenesulfonamide
CID 62349027
(3R)-3-[(2-propylphenoxy)methyl]piperidine
CID 86322759
3-[(2-methylphenoxy)methyl]piperidine
CID 18524094
4-ethoxy-N-(piperidin-3-ylmethyl)naphthalene-1-sulfonamide;hydrochloride
CID 119968708
2-(piperidin-3-ylmethoxy)phenol;hydrochloride
CID 162016330
ethyl 2-(piperidin-3-ylmethoxy)benzoate;hydrochloride
CID 56830906
3-[[2-(2-methylpropoxy)phenoxy]methyl]piperidine
CID 68596368
3-[(2-chlorophenoxy)methyl]piperidine;hydrochloride
CID 45074918
(3R)-3-[(2-phenylphenoxy)methyl]piperidine
CID 26190683
2-N,2-N-dimethyl-1-N-(piperidin-3-ylmethyl)benzene-1,2-disulfonamide;hydrochloride
CID 120707833

Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-3-ylmethoxy)-N-propylbenzenesulfonamide?
The IUPAC name of 2-(piperidin-3-ylmethoxy)-N-propylbenzenesulfonamide (CID 62348183) is 2-(piperidin-3-ylmethoxy)-N-propylbenzenesulfonamide.
What is the SMILES notation for 2-(piperidin-3-ylmethoxy)-N-propylbenzenesulfonamide?
The canonical SMILES for 2-(piperidin-3-ylmethoxy)-N-propylbenzenesulfonamide is CCCNS(=O)(=O)c1ccccc1OCC1CCCNC1.
What is the InChIKey of 2-(piperidin-3-ylmethoxy)-N-propylbenzenesulfonamide?
The InChIKey is XKNDCMZAJTWJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-2-9-17-21(18,19)15-8-4-3-7-14(15)20-12-13-6-5-10-16-11-13/h3-4,7-8,13,16-17H,2,5-6,9-12H2,1H3.
What are the key properties of 2-(piperidin-3-ylmethoxy)-N-propylbenzenesulfonamide?
2-(piperidin-3-ylmethoxy)-N-propylbenzenesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-3-ylmethoxy)-N-propylbenzenesulfonamide is sourced from PubChem (CID 62348183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).