N-[1-[1-(3-methoxyphenyl)ethyl]piperidin-3-yl]methanesulfonamide

C15H24N2O3S — CID 71866104

IUPACN-[1-[1-(3-methoxyphenyl)ethyl]piperidin-3-yl]methanesulfonamide
SMILESCOc1cccc(C(C)N2CCCC(NS(C)(=O)=O)C2)c1
InChIInChI=1S/C15H24N2O3S/c1-12(13-6-4-8-15(10-13)20-2)17-9-5-7-14(11-17)16-21(3,18)19/h4,6,8,10,12,14,16H,5,7,9,11H2,1-3H3
InChIKeyAEBHLHGIOSNDKQ-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.77
Rot. Bonds5

About N-[1-[1-(3-methoxyphenyl)ethyl]piperidin-3-yl]methanesulfonamide

N-[1-[1-(3-methoxyphenyl)ethyl]piperidin-3-yl]methanesulfonamide (PubChem CID 71866104) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-[1-[1-(3-methoxyphenyl)ethyl]piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[1-(3-methoxyphenyl)ethyl]piperidin-3-yl]methanesulfonamide
PubChem CID71866104
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-[1-[1-(3-methoxyphenyl)ethyl]piperidin-3-yl]methanesulfonamide
SMILESCOc1cccc(C(C)N2CCCC(NS(C)(=O)=O)C2)c1
InChIInChI=1S/C15H24N2O3S/c1-12(13-6-4-8-15(10-13)20-2)17-9-5-7-14(11-17)16-21(3,18)19/h4,6,8,10,12,14,16H,5,7,9,11H2,1-3H3
InChIKeyAEBHLHGIOSNDKQ-UHFFFAOYSA-N
XLogP1.77
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[1-(3-chlorophenyl)ethyl]piperidin-3-yl]methanesulfonamide
CID 86825009
N-[(3R)-1-[(1S)-1-(3-chloro-4-methoxyphenyl)ethyl]piperidin-3-yl]methanesulfonamide
CID 100844619
N-[1-(3-methoxyphenyl)piperidin-3-yl]methanesulfonamide
CID 56791986
N-[(3S)-1-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]piperidin-3-yl]methanesulfonamide
CID 52534042
N-[1-(3-methoxyphenyl)ethyl]-1-propan-2-ylazepan-4-amine
CID 65073855
1-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(2-methylsulfonylethyl)piperazine
CID 124606516
1-[1-(3-methoxyphenyl)ethyl]-4-(2-methylsulfonylethyl)piperazine
CID 122133686
N-[(1S)-1-(3-methoxyphenyl)ethyl]-1-propan-2-ylpyrrolidin-3-amine
CID 81376076
2-[(3S)-1-[(1S)-1-(3-methoxyphenyl)ethyl]piperidin-3-yl]-1,3-benzoxazole
CID 95786176
2-[(3S)-1-[(1R)-1-(3-methoxyphenyl)ethyl]piperidin-3-yl]-1,3-benzoxazole
CID 95786177
N-[[(3R)-1-[(1R)-1-(3-chlorophenyl)ethyl]piperidin-3-yl]methyl]methanesulfonamide
CID 100838908
1-(benzenesulfonyl)-4-[(1S)-1-(3-methoxyphenyl)ethyl]piperazine
CID 95760565

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(3-methoxyphenyl)ethyl]piperidin-3-yl]methanesulfonamide?
The IUPAC name of N-[1-[1-(3-methoxyphenyl)ethyl]piperidin-3-yl]methanesulfonamide (CID 71866104) is N-[1-[1-(3-methoxyphenyl)ethyl]piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[1-(3-methoxyphenyl)ethyl]piperidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[1-[1-(3-methoxyphenyl)ethyl]piperidin-3-yl]methanesulfonamide is COc1cccc(C(C)N2CCCC(NS(C)(=O)=O)C2)c1.
What is the InChIKey of N-[1-[1-(3-methoxyphenyl)ethyl]piperidin-3-yl]methanesulfonamide?
The InChIKey is AEBHLHGIOSNDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-12(13-6-4-8-15(10-13)20-2)17-9-5-7-14(11-17)16-21(3,18)19/h4,6,8,10,12,14,16H,5,7,9,11H2,1-3H3.
What are the key properties of N-[1-[1-(3-methoxyphenyl)ethyl]piperidin-3-yl]methanesulfonamide?
N-[1-[1-(3-methoxyphenyl)ethyl]piperidin-3-yl]methanesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(3-methoxyphenyl)ethyl]piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 71866104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).