N-[1-[4-(3-methoxyphenyl)but-3-enyl]piperidin-4-yl]methanesulfonamide

C17H26N2O3S — CID 127264736

IUPACN-[1-[4-(3-methoxyphenyl)but-3-enyl]piperidin-4-yl]methanesulfonamide
SMILESCOc1cccc(C=CCCN2CCC(NS(C)(=O)=O)CC2)c1
InChIInChI=1S/C17H26N2O3S/c1-22-17-8-5-7-15(14-17)6-3-4-11-19-12-9-16(10-13-19)18-23(2,20)21/h3,5-8,14,16,18H,4,9-13H2,1-2H3
InChIKeyYMHLZTAOKXNZJH-UHFFFAOYSA-N
MW338.47 g/mol
LogP2.11
Rot. Bonds7

About N-[1-[4-(3-methoxyphenyl)but-3-enyl]piperidin-4-yl]methanesulfonamide

N-[1-[4-(3-methoxyphenyl)but-3-enyl]piperidin-4-yl]methanesulfonamide (PubChem CID 127264736) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is N-[1-[4-(3-methoxyphenyl)but-3-enyl]piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[4-(3-methoxyphenyl)but-3-enyl]piperidin-4-yl]methanesulfonamide
PubChem CID127264736
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC NameN-[1-[4-(3-methoxyphenyl)but-3-enyl]piperidin-4-yl]methanesulfonamide
SMILESCOc1cccc(C=CCCN2CCC(NS(C)(=O)=O)CC2)c1
InChIInChI=1S/C17H26N2O3S/c1-22-17-8-5-7-15(14-17)6-3-4-11-19-12-9-16(10-13-19)18-23(2,20)21/h3,5-8,14,16,18H,4,9-13H2,1-2H3
InChIKeyYMHLZTAOKXNZJH-UHFFFAOYSA-N
XLogP2.11
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[(E)-4-(3-methoxyphenyl)but-3-enyl]-N-methylpyrrolidine-2-carboxamide
CID 97221680
N-methyl-1-[(E)-4-phenylbut-3-enyl]piperidin-4-amine
CID 66569637
N-[5-(methanesulfonamido)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methanesulfonamide
CID 118541883
N-[(3R)-1-[(6-methoxynaphthalen-2-yl)methyl]pyrrolidin-3-yl]methanesulfonamide
CID 97159828
N-[1-(3-methoxyphenyl)piperidin-3-yl]methanesulfonamide
CID 56791986
S-[4-(3-methoxyphenyl)but-3-enyl] ethanethioate
CID 170479718
N-[1-[(3-cyclopentyloxyphenyl)methyl]piperidin-4-yl]methanesulfonamide
CID 77081003
1-[(E)-but-1-enyl]-3-methoxybenzene
CID 5382989
N-[1-[2-(2-chloro-6-fluorophenyl)ethyl]piperidin-4-yl]methanesulfonamide
CID 86854125
2-[(E)-4-(3-methoxyphenyl)but-3-enyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one
CID 166226815
(E)-6-(3-methoxyphenyl)hex-5-en-1-ol
CID 14739737
[(E)-3-(3-methoxyphenyl)prop-2-enyl] formate
CID 173173536

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(3-methoxyphenyl)but-3-enyl]piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-[4-(3-methoxyphenyl)but-3-enyl]piperidin-4-yl]methanesulfonamide (CID 127264736) is N-[1-[4-(3-methoxyphenyl)but-3-enyl]piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[4-(3-methoxyphenyl)but-3-enyl]piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-[4-(3-methoxyphenyl)but-3-enyl]piperidin-4-yl]methanesulfonamide is COc1cccc(C=CCCN2CCC(NS(C)(=O)=O)CC2)c1.
What is the InChIKey of N-[1-[4-(3-methoxyphenyl)but-3-enyl]piperidin-4-yl]methanesulfonamide?
The InChIKey is YMHLZTAOKXNZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-22-17-8-5-7-15(14-17)6-3-4-11-19-12-9-16(10-13-19)18-23(2,20)21/h3,5-8,14,16,18H,4,9-13H2,1-2H3.
What are the key properties of N-[1-[4-(3-methoxyphenyl)but-3-enyl]piperidin-4-yl]methanesulfonamide?
N-[1-[4-(3-methoxyphenyl)but-3-enyl]piperidin-4-yl]methanesulfonamide has a molecular weight of 338.47 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(3-methoxyphenyl)but-3-enyl]piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 127264736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).