4-benzyl-N,N-dimethylpiperazine-1-sulfonamide

C13H21N3O2S — CID 669958

IUPAC4-benzyl-N,N-dimethylpiperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C13H21N3O2S/c1-14(2)19(17,18)16-10-8-15(9-11-16)12-13-6-4-3-5-7-13/h3-7H,8-12H2,1-2H3
InChIKeyVSKKKUYRWHGHGR-UHFFFAOYSA-N
MW283.40 g/mol
LogP0.61
Rot. Bonds4

About 4-benzyl-N,N-dimethylpiperazine-1-sulfonamide

4-benzyl-N,N-dimethylpiperazine-1-sulfonamide (PubChem CID 669958) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 4-benzyl-N,N-dimethylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-benzyl-N,N-dimethylpiperazine-1-sulfonamide
PubChem CID669958
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name4-benzyl-N,N-dimethylpiperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C13H21N3O2S/c1-14(2)19(17,18)16-10-8-15(9-11-16)12-13-6-4-3-5-7-13/h3-7H,8-12H2,1-2H3
InChIKeyVSKKKUYRWHGHGR-UHFFFAOYSA-N
XLogP0.61
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N,N-dimethylpiperazine-1-sulfonamide?
The IUPAC name of 4-benzyl-N,N-dimethylpiperazine-1-sulfonamide (CID 669958) is 4-benzyl-N,N-dimethylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-benzyl-N,N-dimethylpiperazine-1-sulfonamide?
The canonical SMILES for 4-benzyl-N,N-dimethylpiperazine-1-sulfonamide is CN(C)S(=O)(=O)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 4-benzyl-N,N-dimethylpiperazine-1-sulfonamide?
The InChIKey is VSKKKUYRWHGHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-14(2)19(17,18)16-10-8-15(9-11-16)12-13-6-4-3-5-7-13/h3-7H,8-12H2,1-2H3.
What are the key properties of 4-benzyl-N,N-dimethylpiperazine-1-sulfonamide?
4-benzyl-N,N-dimethylpiperazine-1-sulfonamide has a molecular weight of 283.40 g/mol, XLogP of 0.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N,N-dimethylpiperazine-1-sulfonamide is sourced from PubChem (CID 669958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).