1-[5-(methylsulfamoyl)furan-2-carbonyl]piperidine-4-carboxamide

C12H17N3O5S — CID 39896620

IUPAC1-[5-(methylsulfamoyl)furan-2-carbonyl]piperidine-4-carboxamide
SMILESCNS(=O)(=O)c1ccc(C(=O)N2CCC(C(N)=O)CC2)o1
InChIInChI=1S/C12H17N3O5S/c1-14-21(18,19)10-3-2-9(20-10)12(17)15-6-4-8(5-7-15)11(13)16/h2-3,8,14H,4-7H2,1H3,(H2,13,16)
InChIKeyJFIGEGXARRPKKB-UHFFFAOYSA-N
MW315.35 g/mol
LogP-0.47
Rot. Bonds4

About 1-[5-(methylsulfamoyl)furan-2-carbonyl]piperidine-4-carboxamide

1-[5-(methylsulfamoyl)furan-2-carbonyl]piperidine-4-carboxamide (PubChem CID 39896620) has the molecular formula C12H17N3O5S and a molecular weight of 315.35 g/mol. Its IUPAC name is 1-[5-(methylsulfamoyl)furan-2-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-(methylsulfamoyl)furan-2-carbonyl]piperidine-4-carboxamide
PubChem CID39896620
Molecular FormulaC12H17N3O5S
Molecular Weight315.35 g/mol
Exact Mass315.09
IUPAC Name1-[5-(methylsulfamoyl)furan-2-carbonyl]piperidine-4-carboxamide
SMILESCNS(=O)(=O)c1ccc(C(=O)N2CCC(C(N)=O)CC2)o1
InChIInChI=1S/C12H17N3O5S/c1-14-21(18,19)10-3-2-9(20-10)12(17)15-6-4-8(5-7-15)11(13)16/h2-3,8,14H,4-7H2,1H3,(H2,13,16)
InChIKeyJFIGEGXARRPKKB-UHFFFAOYSA-N
XLogP-0.47
TPSA122.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-5-(4-oxopiperidine-1-carbonyl)furan-2-sulfonamide
CID 112531251
N-methyl-5-[4-(2-methylpropanoyl)piperazine-1-carbonyl]furan-2-sulfonamide
CID 55647946
N-methyl-5-[3-(methylamino)piperidine-1-carbonyl]furan-2-sulfonamide
CID 119493697
5-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-N-methylfuran-2-sulfonamide
CID 39878222
N-methyl-5-[(2R)-2-methylmorpholine-4-carbonyl]furan-2-sulfonamide
CID 94023334
5-[3-(hydroxymethyl)piperidine-1-carbonyl]-N-methylfuran-2-sulfonamide
CID 112531799
5-[(3R)-3-[(1S)-1-aminoethyl]piperidine-1-carbonyl]-N-methylfuran-2-sulfonamide
CID 124592409
5-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-methylfuran-2-sulfonamide
CID 119437647
5-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-methylfuran-2-sulfonamide
CID 38701176
5-[4-(2-hydroxybutyl)piperazine-1-carbonyl]-N-methylfuran-2-sulfonamide
CID 56803099
5-(4-methylpiperidine-1-carbonyl)furan-2-sulfonamide
CID 47176543
1-[3-(methylsulfamoyl)benzoyl]piperidine-4-carboxamide
CID 94786854

Frequently Asked Questions

What is the IUPAC name of 1-[5-(methylsulfamoyl)furan-2-carbonyl]piperidine-4-carboxamide?
The IUPAC name of 1-[5-(methylsulfamoyl)furan-2-carbonyl]piperidine-4-carboxamide (CID 39896620) is 1-[5-(methylsulfamoyl)furan-2-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[5-(methylsulfamoyl)furan-2-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[5-(methylsulfamoyl)furan-2-carbonyl]piperidine-4-carboxamide is CNS(=O)(=O)c1ccc(C(=O)N2CCC(C(N)=O)CC2)o1.
What is the InChIKey of 1-[5-(methylsulfamoyl)furan-2-carbonyl]piperidine-4-carboxamide?
The InChIKey is JFIGEGXARRPKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O5S/c1-14-21(18,19)10-3-2-9(20-10)12(17)15-6-4-8(5-7-15)11(13)16/h2-3,8,14H,4-7H2,1H3,(H2,13,16).
What are the key properties of 1-[5-(methylsulfamoyl)furan-2-carbonyl]piperidine-4-carboxamide?
1-[5-(methylsulfamoyl)furan-2-carbonyl]piperidine-4-carboxamide has a molecular weight of 315.35 g/mol, XLogP of -0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(methylsulfamoyl)furan-2-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 39896620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).