N-[2-[1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-3-yl]ethyl]methanesulfonamide

C18H28N2O2S — CID 56741459

IUPACN-[2-[1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-3-yl]ethyl]methanesulfonamide
SMILESC/C(=C\c1ccccc1)CN1CCCC(CCNS(C)(=O)=O)C1
InChIInChI=1S/C18H28N2O2S/c1-16(13-17-7-4-3-5-8-17)14-20-12-6-9-18(15-20)10-11-19-23(2,21)22/h3-5,7-8,13,18-19H,6,9-12,14-15H2,1-2H3/b16-13+
InChIKeyZBPXSLGBAJANSQ-DTQAZKPQSA-N
MW336.50 g/mol
LogP2.74
Rot. Bonds7

About N-[2-[1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-3-yl]ethyl]methanesulfonamide

N-[2-[1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-3-yl]ethyl]methanesulfonamide (PubChem CID 56741459) has the molecular formula C18H28N2O2S and a molecular weight of 336.50 g/mol. Its IUPAC name is N-[2-[1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-3-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-3-yl]ethyl]methanesulfonamide
PubChem CID56741459
Molecular FormulaC18H28N2O2S
Molecular Weight336.50 g/mol
Exact Mass336.19
IUPAC NameN-[2-[1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-3-yl]ethyl]methanesulfonamide
SMILESC/C(=C\c1ccccc1)CN1CCCC(CCNS(C)(=O)=O)C1
InChIInChI=1S/C18H28N2O2S/c1-16(13-17-7-4-3-5-8-17)14-20-12-6-9-18(15-20)10-11-19-23(2,21)22/h3-5,7-8,13,18-19H,6,9-12,14-15H2,1-2H3/b16-13+
InChIKeyZBPXSLGBAJANSQ-DTQAZKPQSA-N
XLogP2.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.50
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-[[1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-3-yl]methyl]benzenesulfonamide
CID 45226658
(3S)-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-3-ol
CID 30981090
1-(2-methyl-3-phenylprop-2-enyl)piperidin-3-ol
CID 127265628
(3R)-1-[(Z)-2-methyl-3-phenylprop-2-enyl]pyrrolidin-3-ol
CID 86781785
2-[1-[(E)-2-methyl-3-phenylprop-2-enyl]azetidin-3-yl]ethanol
CID 138045097
N-[2-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]ethyl]methanesulfonamide
CID 56739005
N-[2-[(3R)-1-[(3-methyl-1H-indol-2-yl)methyl]piperidin-3-yl]ethyl]methanesulfonamide
CID 95227221
N-[2-[(3S)-1-[(6-chloro-3-pyridinyl)methyl]piperidin-3-yl]ethyl]methanesulfonamide
CID 95202887
2-methyl-3-phenyl-N-(3-pyrrolidin-1-ylpropyl)prop-2-en-1-amine
CID 68681903
N-[2-[4-[(E)-2-methyl-3-phenylprop-2-enyl]morpholin-2-yl]ethyl]acetamide
CID 56702229
9-(cyclopropylmethyl)-2-[(E)-2-methyl-3-phenylprop-2-enyl]-2,9-diazaspiro[4.5]decane
CID 45174619
N-[2-[(3S)-1-[(E)-2-methylpent-2-enyl]piperidin-3-yl]ethyl]acetamide
CID 95207973

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-3-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-3-yl]ethyl]methanesulfonamide (CID 56741459) is N-[2-[1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-3-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-3-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-3-yl]ethyl]methanesulfonamide is C/C(=C\c1ccccc1)CN1CCCC(CCNS(C)(=O)=O)C1.
What is the InChIKey of N-[2-[1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-3-yl]ethyl]methanesulfonamide?
The InChIKey is ZBPXSLGBAJANSQ-DTQAZKPQSA-N. The full InChI is InChI=1S/C18H28N2O2S/c1-16(13-17-7-4-3-5-8-17)14-20-12-6-9-18(15-20)10-11-19-23(2,21)22/h3-5,7-8,13,18-19H,6,9-12,14-15H2,1-2H3/b16-13+.
What are the key properties of N-[2-[1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-3-yl]ethyl]methanesulfonamide?
N-[2-[1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-3-yl]ethyl]methanesulfonamide has a molecular weight of 336.50 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-3-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 56741459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).