2-[1-(2,5-dimethylfuran-3-yl)sulfonylpiperidin-4-yl]-N-methylacetamide

C14H22N2O4S — CID 146075410

IUPAC2-[1-(2,5-dimethylfuran-3-yl)sulfonylpiperidin-4-yl]-N-methylacetamide
SMILESCNC(=O)CC1CCN(S(=O)(=O)c2cc(C)oc2C)CC1
InChIInChI=1S/C14H22N2O4S/c1-10-8-13(11(2)20-10)21(18,19)16-6-4-12(5-7-16)9-14(17)15-3/h8,12H,4-7,9H2,1-3H3,(H,15,17)
InChIKeyQUXBTCMJGUVWLY-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.43
Rot. Bonds4

About 2-[1-(2,5-dimethylfuran-3-yl)sulfonylpiperidin-4-yl]-N-methylacetamide

2-[1-(2,5-dimethylfuran-3-yl)sulfonylpiperidin-4-yl]-N-methylacetamide (PubChem CID 146075410) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is 2-[1-(2,5-dimethylfuran-3-yl)sulfonylpiperidin-4-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[1-(2,5-dimethylfuran-3-yl)sulfonylpiperidin-4-yl]-N-methylacetamide
PubChem CID146075410
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name2-[1-(2,5-dimethylfuran-3-yl)sulfonylpiperidin-4-yl]-N-methylacetamide
SMILESCNC(=O)CC1CCN(S(=O)(=O)c2cc(C)oc2C)CC1
InChIInChI=1S/C14H22N2O4S/c1-10-8-13(11(2)20-10)21(18,19)16-6-4-12(5-7-16)9-14(17)15-3/h8,12H,4-7,9H2,1-3H3,(H,15,17)
InChIKeyQUXBTCMJGUVWLY-UHFFFAOYSA-N
XLogP1.43
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-1-(2,5-dimethylfuran-3-yl)sulfonylpiperidin-4-amine
CID 86784647
[4-(methylaminomethyl)piperidin-1-yl]-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone
CID 119543461
3-amino-N-[[1-(2,5-dimethylfuran-3-yl)sulfonylpiperidin-2-yl]methyl]propanamide
CID 120584439
1-(2,5-dimethylfuran-3-yl)sulfonyl-3,6-dihydro-2H-pyridine-3-carboxylic acid
CID 166288038
3-[4-(2,5-dimethylfuran-3-yl)sulfonylpiperazin-1-yl]phenol
CID 75521933
1-(2,5-dimethylfuran-3-yl)sulfonyl-3-methyl-3-(2,2,2-trifluoroethyl)azetidine
CID 154737975
2-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]sulfonyl-N-methylacetamide
CID 90592825
[3-(methylamino)piperidin-1-yl]-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone
CID 119488674
N-[[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119990508
N-[[1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]methyl]ethanamine
CID 80546648
N-[(3-methylphenyl)methyl]-2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide
CID 46294875
(3-ethylpiperidin-1-yl)-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone
CID 55761088

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,5-dimethylfuran-3-yl)sulfonylpiperidin-4-yl]-N-methylacetamide?
The IUPAC name of 2-[1-(2,5-dimethylfuran-3-yl)sulfonylpiperidin-4-yl]-N-methylacetamide (CID 146075410) is 2-[1-(2,5-dimethylfuran-3-yl)sulfonylpiperidin-4-yl]-N-methylacetamide.
What is the SMILES notation for 2-[1-(2,5-dimethylfuran-3-yl)sulfonylpiperidin-4-yl]-N-methylacetamide?
The canonical SMILES for 2-[1-(2,5-dimethylfuran-3-yl)sulfonylpiperidin-4-yl]-N-methylacetamide is CNC(=O)CC1CCN(S(=O)(=O)c2cc(C)oc2C)CC1.
What is the InChIKey of 2-[1-(2,5-dimethylfuran-3-yl)sulfonylpiperidin-4-yl]-N-methylacetamide?
The InChIKey is QUXBTCMJGUVWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-10-8-13(11(2)20-10)21(18,19)16-6-4-12(5-7-16)9-14(17)15-3/h8,12H,4-7,9H2,1-3H3,(H,15,17).
What are the key properties of 2-[1-(2,5-dimethylfuran-3-yl)sulfonylpiperidin-4-yl]-N-methylacetamide?
2-[1-(2,5-dimethylfuran-3-yl)sulfonylpiperidin-4-yl]-N-methylacetamide has a molecular weight of 314.41 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,5-dimethylfuran-3-yl)sulfonylpiperidin-4-yl]-N-methylacetamide is sourced from PubChem (CID 146075410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).