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

C13H20N2O3S — CID 56791986

IUPACN-[1-(3-methoxyphenyl)piperidin-3-yl]methanesulfonamide
SMILESCOc1cccc(N2CCCC(NS(C)(=O)=O)C2)c1
InChIInChI=1S/C13H20N2O3S/c1-18-13-7-3-6-12(9-13)15-8-4-5-11(10-15)14-19(2,16)17/h3,6-7,9,11,14H,4-5,8,10H2,1-2H3
InChIKeyRWTWHIALZIOVOK-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.21
Rot. Bonds4

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

N-[1-(3-methoxyphenyl)piperidin-3-yl]methanesulfonamide (PubChem CID 56791986) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-[1-(3-methoxyphenyl)piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(3-methoxyphenyl)piperidin-3-yl]methanesulfonamide
PubChem CID56791986
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN-[1-(3-methoxyphenyl)piperidin-3-yl]methanesulfonamide
SMILESCOc1cccc(N2CCCC(NS(C)(=O)=O)C2)c1
InChIInChI=1S/C13H20N2O3S/c1-18-13-7-3-6-12(9-13)15-8-4-5-11(10-15)14-19(2,16)17/h3,6-7,9,11,14H,4-5,8,10H2,1-2H3
InChIKeyRWTWHIALZIOVOK-UHFFFAOYSA-N
XLogP1.21
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]cyclopropanecarboxamide
CID 53318242
N-[1-[1-(3-methoxyphenyl)ethyl]piperidin-3-yl]methanesulfonamide
CID 71866104
2-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]acetamide
CID 119884236
N-[1-(6-methoxyquinolin-2-yl)piperidin-3-yl]methanesulfonamide
CID 163354804
2-cyclopropyl-2-methoxy-N-[1-(3-methoxyphenyl)piperidin-3-yl]acetamide
CID 136538572
N-[1-(4-methylsulfonylphenyl)piperidin-3-yl]methanesulfonamide
CID 163354197
1-(3-methoxyphenyl)piperidin-3-amine;dihydrochloride
CID 168974066
3-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]butanamide
CID 119884246
6-[[1-(3-methoxyphenyl)piperidin-3-yl]amino]pyridine-2-carboxylic acid
CID 122053861
1-[1-(3-methoxyphenyl)piperidin-3-yl]-2-methyl-3-[(1-methylsulfonylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 109395282
(3R)-N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(3-methoxyphenyl)piperidin-3-amine
CID 99715384
3-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]cyclopentane-1-carboxamide
CID 119884210

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxyphenyl)piperidin-3-yl]methanesulfonamide?
The IUPAC name of N-[1-(3-methoxyphenyl)piperidin-3-yl]methanesulfonamide (CID 56791986) is N-[1-(3-methoxyphenyl)piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(3-methoxyphenyl)piperidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[1-(3-methoxyphenyl)piperidin-3-yl]methanesulfonamide is COc1cccc(N2CCCC(NS(C)(=O)=O)C2)c1.
What is the InChIKey of N-[1-(3-methoxyphenyl)piperidin-3-yl]methanesulfonamide?
The InChIKey is RWTWHIALZIOVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-18-13-7-3-6-12(9-13)15-8-4-5-11(10-15)14-19(2,16)17/h3,6-7,9,11,14H,4-5,8,10H2,1-2H3.
What are the key properties of N-[1-(3-methoxyphenyl)piperidin-3-yl]methanesulfonamide?
N-[1-(3-methoxyphenyl)piperidin-3-yl]methanesulfonamide has a molecular weight of 284.38 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxyphenyl)piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 56791986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).