5-methyl-N-(1-methylsulfonylpiperidin-4-yl)furan-2-carboxamide

C12H18N2O4S — CID 47157349

IUPAC5-methyl-N-(1-methylsulfonylpiperidin-4-yl)furan-2-carboxamide
SMILESCc1ccc(C(=O)NC2CCN(S(C)(=O)=O)CC2)o1
InChIInChI=1S/C12H18N2O4S/c1-9-3-4-11(18-9)12(15)13-10-5-7-14(8-6-10)19(2,16)17/h3-4,10H,5-8H2,1-2H3,(H,13,15)
InChIKeyMMIDUSDGDPTIQF-UHFFFAOYSA-N
MW286.35 g/mol
LogP0.74
Rot. Bonds3

About 5-methyl-N-(1-methylsulfonylpiperidin-4-yl)furan-2-carboxamide

5-methyl-N-(1-methylsulfonylpiperidin-4-yl)furan-2-carboxamide (PubChem CID 47157349) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is 5-methyl-N-(1-methylsulfonylpiperidin-4-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(1-methylsulfonylpiperidin-4-yl)furan-2-carboxamide
PubChem CID47157349
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Name5-methyl-N-(1-methylsulfonylpiperidin-4-yl)furan-2-carboxamide
SMILESCc1ccc(C(=O)NC2CCN(S(C)(=O)=O)CC2)o1
InChIInChI=1S/C12H18N2O4S/c1-9-3-4-11(18-9)12(15)13-10-5-7-14(8-6-10)19(2,16)17/h3-4,10H,5-8H2,1-2H3,(H,13,15)
InChIKeyMMIDUSDGDPTIQF-UHFFFAOYSA-N
XLogP0.74
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-[1-(4-nitrophenyl)sulfonylpiperidin-4-yl]furan-2-carboxamide
CID 49460379
5-methyl-N-[1-(2-methylsulfonyl-4-sulfamoylphenyl)piperidin-4-yl]furan-2-carboxamide
CID 56578618
4-methoxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 39999639
4-amino-N-(1-methylsulfonylpiperidin-4-yl)benzamide;hydrochloride
CID 119699919
3-methyl-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 3218769
N-(1-methylsulfonylpiperidin-4-yl)pyridine-3-carboxamide
CID 3218770
N-(1-methylsulfonylpyrrolidin-3-yl)furan-2-carboxamide
CID 110871255
N-[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]-5-methylfuran-2-carboxamide
CID 49447098
5-methyl-N-[1-[2-(N-methylanilino)-2-oxoethyl]piperidin-4-yl]furan-2-carboxamide
CID 49447477
6-chloro-3-methyl-N-(1-methylsulfonylpiperidin-4-yl)pyridine-2-carboxamide
CID 170610856
N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]-5-methylfuran-2-carboxamide
CID 49447371
5-methyl-N-[1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]piperidin-4-yl]furan-2-carboxamide
CID 49447313

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(1-methylsulfonylpiperidin-4-yl)furan-2-carboxamide?
The IUPAC name of 5-methyl-N-(1-methylsulfonylpiperidin-4-yl)furan-2-carboxamide (CID 47157349) is 5-methyl-N-(1-methylsulfonylpiperidin-4-yl)furan-2-carboxamide.
What is the SMILES notation for 5-methyl-N-(1-methylsulfonylpiperidin-4-yl)furan-2-carboxamide?
The canonical SMILES for 5-methyl-N-(1-methylsulfonylpiperidin-4-yl)furan-2-carboxamide is Cc1ccc(C(=O)NC2CCN(S(C)(=O)=O)CC2)o1.
What is the InChIKey of 5-methyl-N-(1-methylsulfonylpiperidin-4-yl)furan-2-carboxamide?
The InChIKey is MMIDUSDGDPTIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-9-3-4-11(18-9)12(15)13-10-5-7-14(8-6-10)19(2,16)17/h3-4,10H,5-8H2,1-2H3,(H,13,15).
What are the key properties of 5-methyl-N-(1-methylsulfonylpiperidin-4-yl)furan-2-carboxamide?
5-methyl-N-(1-methylsulfonylpiperidin-4-yl)furan-2-carboxamide has a molecular weight of 286.35 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(1-methylsulfonylpiperidin-4-yl)furan-2-carboxamide is sourced from PubChem (CID 47157349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).