N-[[4-(piperidine-1-carbonyl)phenyl]methyl]ethanesulfonamide

C15H22N2O3S — CID 47070148

IUPACN-[[4-(piperidine-1-carbonyl)phenyl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCc1ccc(C(=O)N2CCCCC2)cc1
InChIInChI=1S/C15H22N2O3S/c1-2-21(19,20)16-12-13-6-8-14(9-7-13)15(18)17-10-4-3-5-11-17/h6-9,16H,2-5,10-12H2,1H3
InChIKeyKWWRQKWJALQKEP-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.75
Rot. Bonds5

About N-[[4-(piperidine-1-carbonyl)phenyl]methyl]ethanesulfonamide

N-[[4-(piperidine-1-carbonyl)phenyl]methyl]ethanesulfonamide (PubChem CID 47070148) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-[[4-(piperidine-1-carbonyl)phenyl]methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[[4-(piperidine-1-carbonyl)phenyl]methyl]ethanesulfonamide
PubChem CID47070148
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-[[4-(piperidine-1-carbonyl)phenyl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCc1ccc(C(=O)N2CCCCC2)cc1
InChIInChI=1S/C15H22N2O3S/c1-2-21(19,20)16-12-13-6-8-14(9-7-13)15(18)17-10-4-3-5-11-17/h6-9,16H,2-5,10-12H2,1H3
InChIKeyKWWRQKWJALQKEP-UHFFFAOYSA-N
XLogP1.75
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(piperidine-1-carbonyl)phenyl]methyl]ethanesulfonamide?
The IUPAC name of N-[[4-(piperidine-1-carbonyl)phenyl]methyl]ethanesulfonamide (CID 47070148) is N-[[4-(piperidine-1-carbonyl)phenyl]methyl]ethanesulfonamide.
What is the SMILES notation for N-[[4-(piperidine-1-carbonyl)phenyl]methyl]ethanesulfonamide?
The canonical SMILES for N-[[4-(piperidine-1-carbonyl)phenyl]methyl]ethanesulfonamide is CCS(=O)(=O)NCc1ccc(C(=O)N2CCCCC2)cc1.
What is the InChIKey of N-[[4-(piperidine-1-carbonyl)phenyl]methyl]ethanesulfonamide?
The InChIKey is KWWRQKWJALQKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-2-21(19,20)16-12-13-6-8-14(9-7-13)15(18)17-10-4-3-5-11-17/h6-9,16H,2-5,10-12H2,1H3.
What are the key properties of N-[[4-(piperidine-1-carbonyl)phenyl]methyl]ethanesulfonamide?
N-[[4-(piperidine-1-carbonyl)phenyl]methyl]ethanesulfonamide has a molecular weight of 310.42 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(piperidine-1-carbonyl)phenyl]methyl]ethanesulfonamide is sourced from PubChem (CID 47070148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).