N-(piperidin-3-ylmethyl)-4-propylbenzenesulfonamide

C15H24N2O2S — CID 61070409

IUPACN-(piperidin-3-ylmethyl)-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)NCC2CCCNC2)cc1
InChIInChI=1S/C15H24N2O2S/c1-2-4-13-6-8-15(9-7-13)20(18,19)17-12-14-5-3-10-16-11-14/h6-9,14,16-17H,2-5,10-12H2,1H3
InChIKeyWDAACOITMWJSKQ-UHFFFAOYSA-N
MW296.44 g/mol
LogP1.92
Rot. Bonds6

About N-(piperidin-3-ylmethyl)-4-propylbenzenesulfonamide

N-(piperidin-3-ylmethyl)-4-propylbenzenesulfonamide (PubChem CID 61070409) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-(piperidin-3-ylmethyl)-4-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-(piperidin-3-ylmethyl)-4-propylbenzenesulfonamide
PubChem CID61070409
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC NameN-(piperidin-3-ylmethyl)-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)NCC2CCCNC2)cc1
InChIInChI=1S/C15H24N2O2S/c1-2-4-13-6-8-15(9-7-13)20(18,19)17-12-14-5-3-10-16-11-14/h6-9,14,16-17H,2-5,10-12H2,1H3
InChIKeyWDAACOITMWJSKQ-UHFFFAOYSA-N
XLogP1.92
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-methylbutyl)-N-(piperidin-3-ylmethyl)benzenesulfonamide
CID 119968622
4-methylsulfonyl-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 119968466
4-methoxy-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 119968609
4-methyl-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide
CID 80563394
4-(2-methoxyethoxy)-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 119968401
4-propoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide
CID 80563620
4-methoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide
CID 80563364
N-(cyclohexylmethyl)-4-ethylbenzenesulfonamide
CID 3776153
4-bromo-3-fluoro-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 119968667
N-[2-methyl-5-(piperidin-3-ylmethylsulfamoyl)phenyl]acetamide
CID 119968504
4-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 60895182
3-bromo-5-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide
CID 120707868

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-3-ylmethyl)-4-propylbenzenesulfonamide?
The IUPAC name of N-(piperidin-3-ylmethyl)-4-propylbenzenesulfonamide (CID 61070409) is N-(piperidin-3-ylmethyl)-4-propylbenzenesulfonamide.
What is the SMILES notation for N-(piperidin-3-ylmethyl)-4-propylbenzenesulfonamide?
The canonical SMILES for N-(piperidin-3-ylmethyl)-4-propylbenzenesulfonamide is CCCc1ccc(S(=O)(=O)NCC2CCCNC2)cc1.
What is the InChIKey of N-(piperidin-3-ylmethyl)-4-propylbenzenesulfonamide?
The InChIKey is WDAACOITMWJSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-2-4-13-6-8-15(9-7-13)20(18,19)17-12-14-5-3-10-16-11-14/h6-9,14,16-17H,2-5,10-12H2,1H3.
What are the key properties of N-(piperidin-3-ylmethyl)-4-propylbenzenesulfonamide?
N-(piperidin-3-ylmethyl)-4-propylbenzenesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-3-ylmethyl)-4-propylbenzenesulfonamide is sourced from PubChem (CID 61070409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).