N-(1-benzylpiperidin-4-yl)-3-methoxy-2-methylpropane-1-sulfonamide

C17H28N2O3S — CID 136532330

IUPACN-(1-benzylpiperidin-4-yl)-3-methoxy-2-methylpropane-1-sulfonamide
SMILESCOCC(C)CS(=O)(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H28N2O3S/c1-15(13-22-2)14-23(20,21)18-17-8-10-19(11-9-17)12-16-6-4-3-5-7-16/h3-7,15,17-18H,8-14H2,1-2H3
InChIKeyDYNGRUGPLTWHCY-UHFFFAOYSA-N
MW340.49 g/mol
LogP1.85
Rot. Bonds8

About N-(1-benzylpiperidin-4-yl)-3-methoxy-2-methylpropane-1-sulfonamide

N-(1-benzylpiperidin-4-yl)-3-methoxy-2-methylpropane-1-sulfonamide (PubChem CID 136532330) has the molecular formula C17H28N2O3S and a molecular weight of 340.49 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-3-methoxy-2-methylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-3-methoxy-2-methylpropane-1-sulfonamide
PubChem CID136532330
Molecular FormulaC17H28N2O3S
Molecular Weight340.49 g/mol
Exact Mass340.18
IUPAC NameN-(1-benzylpiperidin-4-yl)-3-methoxy-2-methylpropane-1-sulfonamide
SMILESCOCC(C)CS(=O)(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H28N2O3S/c1-15(13-22-2)14-23(20,21)18-17-8-10-19(11-9-17)12-16-6-4-3-5-7-16/h3-7,15,17-18H,8-14H2,1-2H3
InChIKeyDYNGRUGPLTWHCY-UHFFFAOYSA-N
XLogP1.85
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-3-methoxy-2-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]propane-1-sulfonamide
CID 99785782
(2R)-2-methoxy-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]propane-1-sulfonamide
CID 124735855
1-benzyl-4-(dimethylsulfamoylamino)piperidine
CID 11044707
N-(1-benzylpiperidin-4-yl)-2-methoxybenzenesulfonamide
CID 51169998
1-benzyl-N-[(2S)-2-phenylpropyl]piperidin-4-amine
CID 1378352
1-benzyl-N-methylpiperidin-4-amine
CID 4136128
N-(1-benzylpiperidin-4-yl)-2-methoxyacetamide
CID 836236
(E)-N-(1-benzylpiperidin-4-yl)-2-(4-methylphenyl)ethenesulfonamide
CID 134025652
N-(1-benzylpyrrolidin-3-yl)benzenesulfonamide
CID 51169833
N-(1-benzylpiperidin-4-yl)-2-bromobenzenesulfonamide
CID 40562452
N-(1-benzylpiperidin-4-yl)-3-chlorobenzenesulfonamide;hydrochloride
CID 18197766
N-(1-benzylpiperidin-4-yl)-3-methoxy-N,2-dimethylpropanamide
CID 136525412

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-3-methoxy-2-methylpropane-1-sulfonamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-3-methoxy-2-methylpropane-1-sulfonamide (CID 136532330) is N-(1-benzylpiperidin-4-yl)-3-methoxy-2-methylpropane-1-sulfonamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-3-methoxy-2-methylpropane-1-sulfonamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-3-methoxy-2-methylpropane-1-sulfonamide is COCC(C)CS(=O)(=O)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-3-methoxy-2-methylpropane-1-sulfonamide?
The InChIKey is DYNGRUGPLTWHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3S/c1-15(13-22-2)14-23(20,21)18-17-8-10-19(11-9-17)12-16-6-4-3-5-7-16/h3-7,15,17-18H,8-14H2,1-2H3.
What are the key properties of N-(1-benzylpiperidin-4-yl)-3-methoxy-2-methylpropane-1-sulfonamide?
N-(1-benzylpiperidin-4-yl)-3-methoxy-2-methylpropane-1-sulfonamide has a molecular weight of 340.49 g/mol, XLogP of 1.85, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-3-methoxy-2-methylpropane-1-sulfonamide is sourced from PubChem (CID 136532330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).