(3R)-1-(5-methyl-4-sulfamoylfuran-2-carbonyl)piperidine-3-carboxylic acid

C12H16N2O6S — CID 125132918

IUPAC(3R)-1-(5-methyl-4-sulfamoylfuran-2-carbonyl)piperidine-3-carboxylic acid
SMILESCc1oc(C(=O)N2CCC[C@@H](C(=O)O)C2)cc1S(N)(=O)=O
InChIInChI=1S/C12H16N2O6S/c1-7-10(21(13,18)19)5-9(20-7)11(15)14-4-2-3-8(6-14)12(16)17/h5,8H,2-4,6H2,1H3,(H,16,17)(H2,13,18,19)/t8-/m1/s1
InChIKeyXPACHTMZVIOLHG-MRVPVSSYSA-N
MW316.34 g/mol
LogP0.17
Rot. Bonds3

About (3R)-1-(5-methyl-4-sulfamoylfuran-2-carbonyl)piperidine-3-carboxylic acid

(3R)-1-(5-methyl-4-sulfamoylfuran-2-carbonyl)piperidine-3-carboxylic acid (PubChem CID 125132918) has the molecular formula C12H16N2O6S and a molecular weight of 316.34 g/mol. Its IUPAC name is (3R)-1-(5-methyl-4-sulfamoylfuran-2-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(5-methyl-4-sulfamoylfuran-2-carbonyl)piperidine-3-carboxylic acid
PubChem CID125132918
Molecular FormulaC12H16N2O6S
Molecular Weight316.34 g/mol
Exact Mass316.07
IUPAC Name(3R)-1-(5-methyl-4-sulfamoylfuran-2-carbonyl)piperidine-3-carboxylic acid
SMILESCc1oc(C(=O)N2CCC[C@@H](C(=O)O)C2)cc1S(N)(=O)=O
InChIInChI=1S/C12H16N2O6S/c1-7-10(21(13,18)19)5-9(20-7)11(15)14-4-2-3-8(6-14)12(16)17/h5,8H,2-4,6H2,1H3,(H,16,17)(H2,13,18,19)/t8-/m1/s1
InChIKeyXPACHTMZVIOLHG-MRVPVSSYSA-N
XLogP0.17
TPSA130.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-5-[3-(methylamino)piperidine-1-carbonyl]furan-3-sulfonamide
CID 119493911
2-methyl-5-[(3R)-3-methylpyrrolidine-1-carbonyl]furan-3-sulfonyl chloride
CID 98113238
[3-(methylamino)piperidin-1-yl]-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone
CID 119488674
5-[4-(methoxymethyl)piperidine-1-carbonyl]-2-methylfuran-3-sulfonamide
CID 65387146
(3-ethylpiperidin-1-yl)-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone
CID 55761088
2-bromo-5-(3-methoxypiperidine-1-carbonyl)furan-3-sulfonamide
CID 102970878
4-[(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119230045
(3S)-1-[5-(dimethylsulfamoyl)furan-2-carbonyl]piperidine-3-carboxylic acid
CID 119113532
(3S)-1-(7-methoxy-1-benzofuran-2-carbonyl)piperidine-3-carboxylic acid
CID 99639026
N-cyclohexyl-5-methyl-4-sulfamoylfuran-2-carboxamide
CID 65374556
1-(2,5-dimethylthiophene-3-carbonyl)piperidine-3-carboxylic acid
CID 43355862
(3S)-1-(2-methyl-1,3-oxazole-4-carbonyl)piperidine-3-carboxylic acid
CID 100802472

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(5-methyl-4-sulfamoylfuran-2-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(5-methyl-4-sulfamoylfuran-2-carbonyl)piperidine-3-carboxylic acid (CID 125132918) is (3R)-1-(5-methyl-4-sulfamoylfuran-2-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(5-methyl-4-sulfamoylfuran-2-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(5-methyl-4-sulfamoylfuran-2-carbonyl)piperidine-3-carboxylic acid is Cc1oc(C(=O)N2CCC[C@@H](C(=O)O)C2)cc1S(N)(=O)=O.
What is the InChIKey of (3R)-1-(5-methyl-4-sulfamoylfuran-2-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is XPACHTMZVIOLHG-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H16N2O6S/c1-7-10(21(13,18)19)5-9(20-7)11(15)14-4-2-3-8(6-14)12(16)17/h5,8H,2-4,6H2,1H3,(H,16,17)(H2,13,18,19)/t8-/m1/s1.
What are the key properties of (3R)-1-(5-methyl-4-sulfamoylfuran-2-carbonyl)piperidine-3-carboxylic acid?
(3R)-1-(5-methyl-4-sulfamoylfuran-2-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 316.34 g/mol, XLogP of 0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(5-methyl-4-sulfamoylfuran-2-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 125132918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).