N-[[1-(3-methylfuran-2-carbonyl)piperidin-3-yl]methyl]methanesulfonamide

C13H20N2O4S — CID 47180844

IUPACN-[[1-(3-methylfuran-2-carbonyl)piperidin-3-yl]methyl]methanesulfonamide
SMILESCc1ccoc1C(=O)N1CCCC(CNS(C)(=O)=O)C1
InChIInChI=1S/C13H20N2O4S/c1-10-5-7-19-12(10)13(16)15-6-3-4-11(9-15)8-14-20(2,17)18/h5,7,11,14H,3-4,6,8-9H2,1-2H3
InChIKeyIMYMIRJQJRRGEO-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.99
Rot. Bonds4

About N-[[1-(3-methylfuran-2-carbonyl)piperidin-3-yl]methyl]methanesulfonamide

N-[[1-(3-methylfuran-2-carbonyl)piperidin-3-yl]methyl]methanesulfonamide (PubChem CID 47180844) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-[[1-(3-methylfuran-2-carbonyl)piperidin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-(3-methylfuran-2-carbonyl)piperidin-3-yl]methyl]methanesulfonamide
PubChem CID47180844
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC NameN-[[1-(3-methylfuran-2-carbonyl)piperidin-3-yl]methyl]methanesulfonamide
SMILESCc1ccoc1C(=O)N1CCCC(CNS(C)(=O)=O)C1
InChIInChI=1S/C13H20N2O4S/c1-10-5-7-19-12(10)13(16)15-6-3-4-11(9-15)8-14-20(2,17)18/h5,7,11,14H,3-4,6,8-9H2,1-2H3
InChIKeyIMYMIRJQJRRGEO-UHFFFAOYSA-N
XLogP0.99
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(2-bromofuran-3-carbonyl)piperidin-3-yl]methyl]methanesulfonamide
CID 106853554
[3-(2-chloroethyl)piperidin-1-yl]-(3-methylfuran-2-yl)methanone
CID 63396186
(3-aminopiperidin-1-yl)-(3-methylfuran-2-yl)methanone;hydrochloride
CID 119377765
(3-chloropiperidin-1-yl)-(3-methylfuran-2-yl)methanone
CID 63393139
N-[[(2S)-1-(3-methylfuran-2-carbonyl)piperidin-2-yl]methyl]methanesulfonamide
CID 97073184
N-[[1-(4-aminobenzoyl)piperidin-3-yl]methyl]methanesulfonamide
CID 60963148
N-[[(3S)-1-(2-bromobenzoyl)piperidin-3-yl]methyl]methanesulfonamide
CID 51889560
N-[[1-[3-(methoxymethyl)-1-benzofuran-2-carbonyl]piperidin-3-yl]methyl]methanesulfonamide
CID 55665868
N-cyclobutyl-N-[(4S)-1-(3-methylfuran-2-carbonyl)azepan-4-yl]methanesulfonamide
CID 129343325
N-[[1-(1,3-benzodioxole-5-carbonyl)piperidin-3-yl]methyl]methanesulfonamide
CID 51079196
N-[[1-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)piperidin-3-yl]methyl]methanesulfonamide
CID 71684875
N-[[1-[3,5-bis(trifluoromethyl)benzoyl]piperidin-3-yl]methyl]methanesulfonamide
CID 55666094

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methylfuran-2-carbonyl)piperidin-3-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-(3-methylfuran-2-carbonyl)piperidin-3-yl]methyl]methanesulfonamide (CID 47180844) is N-[[1-(3-methylfuran-2-carbonyl)piperidin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-(3-methylfuran-2-carbonyl)piperidin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-(3-methylfuran-2-carbonyl)piperidin-3-yl]methyl]methanesulfonamide is Cc1ccoc1C(=O)N1CCCC(CNS(C)(=O)=O)C1.
What is the InChIKey of N-[[1-(3-methylfuran-2-carbonyl)piperidin-3-yl]methyl]methanesulfonamide?
The InChIKey is IMYMIRJQJRRGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-10-5-7-19-12(10)13(16)15-6-3-4-11(9-15)8-14-20(2,17)18/h5,7,11,14H,3-4,6,8-9H2,1-2H3.
What are the key properties of N-[[1-(3-methylfuran-2-carbonyl)piperidin-3-yl]methyl]methanesulfonamide?
N-[[1-(3-methylfuran-2-carbonyl)piperidin-3-yl]methyl]methanesulfonamide has a molecular weight of 300.38 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methylfuran-2-carbonyl)piperidin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 47180844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).