N-methyl-2-(5-methylfuran-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-sulfonamide

C15H22N4O3S — CID 71929409

IUPACN-methyl-2-(5-methylfuran-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-sulfonamide
SMILESCc1ccc(C2CCCN2S(=O)(=O)N(C)Cc2cnn(C)c2)o1
InChIInChI=1S/C15H22N4O3S/c1-12-6-7-15(22-12)14-5-4-8-19(14)23(20,21)18(3)11-13-9-16-17(2)10-13/h6-7,9-10,14H,4-5,8,11H2,1-3H3
InChIKeyXTZKGHMIMDPGDD-UHFFFAOYSA-N
MW338.43 g/mol
LogP1.84
Rot. Bonds5

About N-methyl-2-(5-methylfuran-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-sulfonamide

N-methyl-2-(5-methylfuran-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-sulfonamide (PubChem CID 71929409) has the molecular formula C15H22N4O3S and a molecular weight of 338.43 g/mol. Its IUPAC name is N-methyl-2-(5-methylfuran-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-methyl-2-(5-methylfuran-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-sulfonamide
PubChem CID71929409
Molecular FormulaC15H22N4O3S
Molecular Weight338.43 g/mol
Exact Mass338.14
IUPAC NameN-methyl-2-(5-methylfuran-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-sulfonamide
SMILESCc1ccc(C2CCCN2S(=O)(=O)N(C)Cc2cnn(C)c2)o1
InChIInChI=1S/C15H22N4O3S/c1-12-6-7-15(22-12)14-5-4-8-19(14)23(20,21)18(3)11-13-9-16-17(2)10-13/h6-7,9-10,14H,4-5,8,11H2,1-3H3
InChIKeyXTZKGHMIMDPGDD-UHFFFAOYSA-N
XLogP1.84
TPSA71.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(5-methylfuran-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-sulfonamide?
The IUPAC name of N-methyl-2-(5-methylfuran-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-sulfonamide (CID 71929409) is N-methyl-2-(5-methylfuran-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-methyl-2-(5-methylfuran-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-sulfonamide?
The canonical SMILES for N-methyl-2-(5-methylfuran-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-sulfonamide is Cc1ccc(C2CCCN2S(=O)(=O)N(C)Cc2cnn(C)c2)o1.
What is the InChIKey of N-methyl-2-(5-methylfuran-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-sulfonamide?
The InChIKey is XTZKGHMIMDPGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3S/c1-12-6-7-15(22-12)14-5-4-8-19(14)23(20,21)18(3)11-13-9-16-17(2)10-13/h6-7,9-10,14H,4-5,8,11H2,1-3H3.
What are the key properties of N-methyl-2-(5-methylfuran-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-sulfonamide?
N-methyl-2-(5-methylfuran-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-sulfonamide has a molecular weight of 338.43 g/mol, XLogP of 1.84, 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-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 71929409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).