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

1-Methyl-4-(para-tolylsulfonyl)-piperazine
CID 269717
1-Phenylmethanesulfonyl-piperidine
CID 273955
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CID 51360667
4-Benzyl-1-(3-iodobenzylsulfonyl)piperidine
CID 71699218
1-(2-Phenylethyl)-4-(phenylsulfonyl)piperazine
CID 6467663
(E)-1-benzyl-4-(styrylsulfonyl)piperazine
CID 882298
4-ethyl-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 57393432
3-[1-(3-Phenylprop-2-yn-1-yl)piperidinium-1-yl]propane-1-sulfonate
CID 4642982
1-(2-Phenylethenesulfonyl)piperazine
CID 5893769
1-(Benzylsulfonyl)azepane
CID 669274
1-methylsulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 750930
1-Phenylmethanesulfonylpiperazine
CID 2512733

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).