N-methyl-2-(5-methylfuran-2-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidine-1-sulfonamide

C15H21N3O4S — CID 71929395

IUPACN-methyl-2-(5-methylfuran-2-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidine-1-sulfonamide
SMILESCc1cc(CN(C)S(=O)(=O)N2CCCC2c2ccc(C)o2)no1
InChIInChI=1S/C15H21N3O4S/c1-11-6-7-15(21-11)14-5-4-8-18(14)23(19,20)17(3)10-13-9-12(2)22-16-13/h6-7,9,14H,4-5,8,10H2,1-3H3
InChIKeyQXAHSBTXUFOCJJ-UHFFFAOYSA-N
MW339.42 g/mol
LogP2.40
Rot. Bonds5

About N-methyl-2-(5-methylfuran-2-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidine-1-sulfonamide

N-methyl-2-(5-methylfuran-2-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidine-1-sulfonamide (PubChem CID 71929395) has the molecular formula C15H21N3O4S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-methyl-2-(5-methylfuran-2-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-methyl-2-(5-methylfuran-2-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidine-1-sulfonamide
PubChem CID71929395
Molecular FormulaC15H21N3O4S
Molecular Weight339.42 g/mol
Exact Mass339.13
IUPAC NameN-methyl-2-(5-methylfuran-2-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidine-1-sulfonamide
SMILESCc1cc(CN(C)S(=O)(=O)N2CCCC2c2ccc(C)o2)no1
InChIInChI=1S/C15H21N3O4S/c1-11-6-7-15(21-11)14-5-4-8-18(14)23(19,20)17(3)10-13-9-12(2)22-16-13/h6-7,9,14H,4-5,8,10H2,1-3H3
InChIKeyQXAHSBTXUFOCJJ-UHFFFAOYSA-N
XLogP2.40
TPSA79.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,2-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-1-sulfonamide
CID 47185640
(2S)-2-(5-methylfuran-2-yl)-1-methylsulfonylpyrrolidine
CID 95770649
(2S)-N-ethyl-2-(5-methylfuran-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-1-sulfonamide
CID 124860181
(2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(furan-2-yl)-N-methylpyrrolidine-1-sulfonamide
CID 97001983
2-(5-methylfuran-2-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-1-sulfonamide
CID 71873038
1-ethyl-4-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]sulfonyl-1,4-diazepane
CID 124736975
5-methyl-4-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole
CID 95770643
1-methyl-4-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]sulfonylpyrazole
CID 95770651
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanesulfonamide
CID 61356856
5-methyl-3-[(2S)-1-methylsulfonylpyrrolidin-2-yl]-1,2-oxazole
CID 93070178
(3aS,7aS)-2-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]sulfonyl-1,3,3a,4,7,7a-hexahydroisoindole
CID 98775014
(3aR,7aS)-2-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]sulfonyl-1,3,3a,4,7,7a-hexahydroisoindole
CID 96511044

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(5-methylfuran-2-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidine-1-sulfonamide?
The IUPAC name of N-methyl-2-(5-methylfuran-2-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidine-1-sulfonamide (CID 71929395) is N-methyl-2-(5-methylfuran-2-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-methyl-2-(5-methylfuran-2-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidine-1-sulfonamide?
The canonical SMILES for N-methyl-2-(5-methylfuran-2-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidine-1-sulfonamide is Cc1cc(CN(C)S(=O)(=O)N2CCCC2c2ccc(C)o2)no1.
What is the InChIKey of N-methyl-2-(5-methylfuran-2-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidine-1-sulfonamide?
The InChIKey is QXAHSBTXUFOCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4S/c1-11-6-7-15(21-11)14-5-4-8-18(14)23(19,20)17(3)10-13-9-12(2)22-16-13/h6-7,9,14H,4-5,8,10H2,1-3H3.
What are the key properties of N-methyl-2-(5-methylfuran-2-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidine-1-sulfonamide?
N-methyl-2-(5-methylfuran-2-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidine-1-sulfonamide has a molecular weight of 339.42 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(5-methylfuran-2-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 71929395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).