5-[(2,4-dimethylpiperazin-1-yl)methyl]-N,N-dimethylfuran-2-sulfonamide

C13H23N3O3S — CID 71877572

IUPAC5-[(2,4-dimethylpiperazin-1-yl)methyl]-N,N-dimethylfuran-2-sulfonamide
SMILESCC1CN(C)CCN1Cc1ccc(S(=O)(=O)N(C)C)o1
InChIInChI=1S/C13H23N3O3S/c1-11-9-15(4)7-8-16(11)10-12-5-6-13(19-12)20(17,18)14(2)3/h5-6,11H,7-10H2,1-4H3
InChIKeyNZTLFUVYQJODQQ-UHFFFAOYSA-N
MW301.41 g/mol
LogP0.67
Rot. Bonds4

About 5-[(2,4-dimethylpiperazin-1-yl)methyl]-N,N-dimethylfuran-2-sulfonamide

5-[(2,4-dimethylpiperazin-1-yl)methyl]-N,N-dimethylfuran-2-sulfonamide (PubChem CID 71877572) has the molecular formula C13H23N3O3S and a molecular weight of 301.41 g/mol. Its IUPAC name is 5-[(2,4-dimethylpiperazin-1-yl)methyl]-N,N-dimethylfuran-2-sulfonamide.

Molecular Properties

Compound Name5-[(2,4-dimethylpiperazin-1-yl)methyl]-N,N-dimethylfuran-2-sulfonamide
PubChem CID71877572
Molecular FormulaC13H23N3O3S
Molecular Weight301.41 g/mol
Exact Mass301.15
IUPAC Name5-[(2,4-dimethylpiperazin-1-yl)methyl]-N,N-dimethylfuran-2-sulfonamide
SMILESCC1CN(C)CCN1Cc1ccc(S(=O)(=O)N(C)C)o1
InChIInChI=1S/C13H23N3O3S/c1-11-9-15(4)7-8-16(11)10-12-5-6-13(19-12)20(17,18)14(2)3/h5-6,11H,7-10H2,1-4H3
InChIKeyNZTLFUVYQJODQQ-UHFFFAOYSA-N
XLogP0.67
TPSA57.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dimethylpiperazin-1-yl)methyl]-N,N-dimethylfuran-2-sulfonamide?
The IUPAC name of 5-[(2,4-dimethylpiperazin-1-yl)methyl]-N,N-dimethylfuran-2-sulfonamide (CID 71877572) is 5-[(2,4-dimethylpiperazin-1-yl)methyl]-N,N-dimethylfuran-2-sulfonamide.
What is the SMILES notation for 5-[(2,4-dimethylpiperazin-1-yl)methyl]-N,N-dimethylfuran-2-sulfonamide?
The canonical SMILES for 5-[(2,4-dimethylpiperazin-1-yl)methyl]-N,N-dimethylfuran-2-sulfonamide is CC1CN(C)CCN1Cc1ccc(S(=O)(=O)N(C)C)o1.
What is the InChIKey of 5-[(2,4-dimethylpiperazin-1-yl)methyl]-N,N-dimethylfuran-2-sulfonamide?
The InChIKey is NZTLFUVYQJODQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3S/c1-11-9-15(4)7-8-16(11)10-12-5-6-13(19-12)20(17,18)14(2)3/h5-6,11H,7-10H2,1-4H3.
What are the key properties of 5-[(2,4-dimethylpiperazin-1-yl)methyl]-N,N-dimethylfuran-2-sulfonamide?
5-[(2,4-dimethylpiperazin-1-yl)methyl]-N,N-dimethylfuran-2-sulfonamide has a molecular weight of 301.41 g/mol, XLogP of 0.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dimethylpiperazin-1-yl)methyl]-N,N-dimethylfuran-2-sulfonamide is sourced from PubChem (CID 71877572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).