2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-N-methyl-2-oxoethanesulfonamide

C14H21N3O5S — CID 136513320

IUPAC2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-N-methyl-2-oxoethanesulfonamide
SMILESCNS(=O)(=O)CC(=O)N1CCN(C(=O)c2cc(C)oc2C)CC1
InChIInChI=1S/C14H21N3O5S/c1-10-8-12(11(2)22-10)14(19)17-6-4-16(5-7-17)13(18)9-23(20,21)15-3/h8,15H,4-7,9H2,1-3H3
InChIKeyGTSHERGUEWUDPE-UHFFFAOYSA-N
MW343.41 g/mol
LogP-0.27
Rot. Bonds4

About 2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-N-methyl-2-oxoethanesulfonamide

2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-N-methyl-2-oxoethanesulfonamide (PubChem CID 136513320) has the molecular formula C14H21N3O5S and a molecular weight of 343.41 g/mol. Its IUPAC name is 2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-N-methyl-2-oxoethanesulfonamide.

Molecular Properties

Compound Name2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-N-methyl-2-oxoethanesulfonamide
PubChem CID136513320
Molecular FormulaC14H21N3O5S
Molecular Weight343.41 g/mol
Exact Mass343.12
IUPAC Name2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-N-methyl-2-oxoethanesulfonamide
SMILESCNS(=O)(=O)CC(=O)N1CCN(C(=O)c2cc(C)oc2C)CC1
InChIInChI=1S/C14H21N3O5S/c1-10-8-12(11(2)22-10)14(19)17-6-4-16(5-7-17)13(18)9-23(20,21)15-3/h8,15H,4-7,9H2,1-3H3
InChIKeyGTSHERGUEWUDPE-UHFFFAOYSA-N
XLogP-0.27
TPSA99.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-N-methyl-2-oxoethanesulfonamide?
The IUPAC name of 2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-N-methyl-2-oxoethanesulfonamide (CID 136513320) is 2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-N-methyl-2-oxoethanesulfonamide.
What is the SMILES notation for 2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-N-methyl-2-oxoethanesulfonamide?
The canonical SMILES for 2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-N-methyl-2-oxoethanesulfonamide is CNS(=O)(=O)CC(=O)N1CCN(C(=O)c2cc(C)oc2C)CC1.
What is the InChIKey of 2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-N-methyl-2-oxoethanesulfonamide?
The InChIKey is GTSHERGUEWUDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O5S/c1-10-8-12(11(2)22-10)14(19)17-6-4-16(5-7-17)13(18)9-23(20,21)15-3/h8,15H,4-7,9H2,1-3H3.
What are the key properties of 2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-N-methyl-2-oxoethanesulfonamide?
2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-N-methyl-2-oxoethanesulfonamide has a molecular weight of 343.41 g/mol, XLogP of -0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-N-methyl-2-oxoethanesulfonamide is sourced from PubChem (CID 136513320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).