N-methyl-2-phenyl-N-(2-piperidin-1-ylethyl)ethanesulfonamide

C16H26N2O2S — CID 110753480

IUPACN-methyl-2-phenyl-N-(2-piperidin-1-ylethyl)ethanesulfonamide
SMILESCN(CCN1CCCCC1)S(=O)(=O)CCc1ccccc1
InChIInChI=1S/C16H26N2O2S/c1-17(13-14-18-11-6-3-7-12-18)21(19,20)15-10-16-8-4-2-5-9-16/h2,4-5,8-9H,3,6-7,10-15H2,1H3
InChIKeyDQFMTPSGJNJTMR-UHFFFAOYSA-N
MW310.46 g/mol
LogP1.98
Rot. Bonds7

About N-methyl-2-phenyl-N-(2-piperidin-1-ylethyl)ethanesulfonamide

N-methyl-2-phenyl-N-(2-piperidin-1-ylethyl)ethanesulfonamide (PubChem CID 110753480) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is N-methyl-2-phenyl-N-(2-piperidin-1-ylethyl)ethanesulfonamide.

Molecular Properties

Compound NameN-methyl-2-phenyl-N-(2-piperidin-1-ylethyl)ethanesulfonamide
PubChem CID110753480
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC NameN-methyl-2-phenyl-N-(2-piperidin-1-ylethyl)ethanesulfonamide
SMILESCN(CCN1CCCCC1)S(=O)(=O)CCc1ccccc1
InChIInChI=1S/C16H26N2O2S/c1-17(13-14-18-11-6-3-7-12-18)21(19,20)15-10-16-8-4-2-5-9-16/h2,4-5,8-9H,3,6-7,10-15H2,1H3
InChIKeyDQFMTPSGJNJTMR-UHFFFAOYSA-N
XLogP1.98
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azepan-1-yl)-N-benzyl-N-methylethanamine
CID 54806241
N-benzyl-N-(2-piperidin-1-ylethyl)-4-propylbenzenesulfonamide
CID 51353133
3-amino-N-methyl-N-(2-pyrrolidin-1-ylethyl)propane-1-sulfonamide
CID 63207731
3-chloro-N-methyl-N-(2-pyrrolidin-1-ylethyl)propane-1-sulfonamide
CID 63208860
4-[methyl(2-phenylethylsulfonyl)amino]butanoic acid
CID 39385608
4-(2-aminoethyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 63208977
N-(2,2-dimethylpropyl)-N-methyl-2-phenylethanesulfonamide
CID 110669403
methyl 3-[methyl(2-phenylethylsulfonyl)amino]propanoate
CID 54942207
2-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 63207567
N-methyl-N-(2-pyrrolidin-1-ylethyl)aniline
CID 69244410
5-[methyl(2-pyrrolidin-1-ylethyl)sulfamoyl]furan-2-carboxylic acid
CID 63207582
1-(11-phenylundecyl)piperidine;hydrochloride
CID 173446957

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-phenyl-N-(2-piperidin-1-ylethyl)ethanesulfonamide?
The IUPAC name of N-methyl-2-phenyl-N-(2-piperidin-1-ylethyl)ethanesulfonamide (CID 110753480) is N-methyl-2-phenyl-N-(2-piperidin-1-ylethyl)ethanesulfonamide.
What is the SMILES notation for N-methyl-2-phenyl-N-(2-piperidin-1-ylethyl)ethanesulfonamide?
The canonical SMILES for N-methyl-2-phenyl-N-(2-piperidin-1-ylethyl)ethanesulfonamide is CN(CCN1CCCCC1)S(=O)(=O)CCc1ccccc1.
What is the InChIKey of N-methyl-2-phenyl-N-(2-piperidin-1-ylethyl)ethanesulfonamide?
The InChIKey is DQFMTPSGJNJTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-17(13-14-18-11-6-3-7-12-18)21(19,20)15-10-16-8-4-2-5-9-16/h2,4-5,8-9H,3,6-7,10-15H2,1H3.
What are the key properties of N-methyl-2-phenyl-N-(2-piperidin-1-ylethyl)ethanesulfonamide?
N-methyl-2-phenyl-N-(2-piperidin-1-ylethyl)ethanesulfonamide has a molecular weight of 310.46 g/mol, XLogP of 1.98, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-phenyl-N-(2-piperidin-1-ylethyl)ethanesulfonamide is sourced from PubChem (CID 110753480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).