2-methyl-5-(2-methylpiperazine-1-carbonyl)furan-3-sulfonamide

C11H17N3O4S — CID 119473665

IUPAC2-methyl-5-(2-methylpiperazine-1-carbonyl)furan-3-sulfonamide
SMILESCc1oc(C(=O)N2CCNCC2C)cc1S(N)(=O)=O
InChIInChI=1S/C11H17N3O4S/c1-7-6-13-3-4-14(7)11(15)9-5-10(8(2)18-9)19(12,16)17/h5,7,13H,3-4,6H2,1-2H3,(H2,12,16,17)
InChIKeyWJWARCUVNHBBQO-UHFFFAOYSA-N
MW287.34 g/mol
LogP-0.33
Rot. Bonds2

About 2-methyl-5-(2-methylpiperazine-1-carbonyl)furan-3-sulfonamide

2-methyl-5-(2-methylpiperazine-1-carbonyl)furan-3-sulfonamide (PubChem CID 119473665) has the molecular formula C11H17N3O4S and a molecular weight of 287.34 g/mol. Its IUPAC name is 2-methyl-5-(2-methylpiperazine-1-carbonyl)furan-3-sulfonamide.

Molecular Properties

Compound Name2-methyl-5-(2-methylpiperazine-1-carbonyl)furan-3-sulfonamide
PubChem CID119473665
Molecular FormulaC11H17N3O4S
Molecular Weight287.34 g/mol
Exact Mass287.09
IUPAC Name2-methyl-5-(2-methylpiperazine-1-carbonyl)furan-3-sulfonamide
SMILESCc1oc(C(=O)N2CCNCC2C)cc1S(N)(=O)=O
InChIInChI=1S/C11H17N3O4S/c1-7-6-13-3-4-14(7)11(15)9-5-10(8(2)18-9)19(12,16)17/h5,7,13H,3-4,6H2,1-2H3,(H2,12,16,17)
InChIKeyWJWARCUVNHBBQO-UHFFFAOYSA-N
XLogP-0.33
TPSA105.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-2-methylfuran-3-sulfonamide
CID 120733131
2-methyl-5-(2-pyridin-3-ylpiperazine-1-carbonyl)furan-3-sulfonamide;hydrochloride
CID 120729448
(5,6-dimethyl-1-benzofuran-2-yl)-(2-methylpiperazin-1-yl)methanone
CID 119470320
(5,6-dimethyl-1-benzofuran-2-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119470319
(5-methylfuran-2-yl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82704923
(5-methylfuro[3,2-b]pyridin-2-yl)-(2-methylpiperazin-1-yl)methanone
CID 119473639
(2,5-dimethylfuran-3-yl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82705081
2-methyl-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)furan-3-sulfonamide
CID 75378791
(2-hydroxy-4-methylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82756335
(2,3-dimethylpiperazin-1-yl)-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone;hydrochloride
CID 120572033
2-methyl-5-[3-(methylamino)piperidine-1-carbonyl]furan-3-sulfonamide
CID 119493911
(3R)-1-(5-methyl-4-sulfamoylfuran-2-carbonyl)piperidine-3-carboxylic acid
CID 125132918

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-methylpiperazine-1-carbonyl)furan-3-sulfonamide?
The IUPAC name of 2-methyl-5-(2-methylpiperazine-1-carbonyl)furan-3-sulfonamide (CID 119473665) is 2-methyl-5-(2-methylpiperazine-1-carbonyl)furan-3-sulfonamide.
What is the SMILES notation for 2-methyl-5-(2-methylpiperazine-1-carbonyl)furan-3-sulfonamide?
The canonical SMILES for 2-methyl-5-(2-methylpiperazine-1-carbonyl)furan-3-sulfonamide is Cc1oc(C(=O)N2CCNCC2C)cc1S(N)(=O)=O.
What is the InChIKey of 2-methyl-5-(2-methylpiperazine-1-carbonyl)furan-3-sulfonamide?
The InChIKey is WJWARCUVNHBBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S/c1-7-6-13-3-4-14(7)11(15)9-5-10(8(2)18-9)19(12,16)17/h5,7,13H,3-4,6H2,1-2H3,(H2,12,16,17).
What are the key properties of 2-methyl-5-(2-methylpiperazine-1-carbonyl)furan-3-sulfonamide?
2-methyl-5-(2-methylpiperazine-1-carbonyl)furan-3-sulfonamide has a molecular weight of 287.34 g/mol, XLogP of -0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2-methylpiperazine-1-carbonyl)furan-3-sulfonamide is sourced from PubChem (CID 119473665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).