4-(2-cyanoacetyl)-N,N-dimethylpiperazine-1-sulfonamide

C9H16N4O3S — CID 108567474

IUPAC4-(2-cyanoacetyl)-N,N-dimethylpiperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(C(=O)CC#N)CC1
InChIInChI=1S/C9H16N4O3S/c1-11(2)17(15,16)13-7-5-12(6-8-13)9(14)3-4-10/h3,5-8H2,1-2H3
InChIKeyKFSXNRAMVCJXTN-UHFFFAOYSA-N
MW260.32 g/mol
LogP-1.15
Rot. Bonds3

About 4-(2-cyanoacetyl)-N,N-dimethylpiperazine-1-sulfonamide

4-(2-cyanoacetyl)-N,N-dimethylpiperazine-1-sulfonamide (PubChem CID 108567474) has the molecular formula C9H16N4O3S and a molecular weight of 260.32 g/mol. Its IUPAC name is 4-(2-cyanoacetyl)-N,N-dimethylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(2-cyanoacetyl)-N,N-dimethylpiperazine-1-sulfonamide
PubChem CID108567474
Molecular FormulaC9H16N4O3S
Molecular Weight260.32 g/mol
Exact Mass260.09
IUPAC Name4-(2-cyanoacetyl)-N,N-dimethylpiperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(C(=O)CC#N)CC1
InChIInChI=1S/C9H16N4O3S/c1-11(2)17(15,16)13-7-5-12(6-8-13)9(14)3-4-10/h3,5-8H2,1-2H3
InChIKeyKFSXNRAMVCJXTN-UHFFFAOYSA-N
XLogP-1.15
TPSA84.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 5-1.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-cyanoacetyl)-N,N-dimethylpiperazine-1-sulfonamide?
The IUPAC name of 4-(2-cyanoacetyl)-N,N-dimethylpiperazine-1-sulfonamide (CID 108567474) is 4-(2-cyanoacetyl)-N,N-dimethylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-(2-cyanoacetyl)-N,N-dimethylpiperazine-1-sulfonamide?
The canonical SMILES for 4-(2-cyanoacetyl)-N,N-dimethylpiperazine-1-sulfonamide is CN(C)S(=O)(=O)N1CCN(C(=O)CC#N)CC1.
What is the InChIKey of 4-(2-cyanoacetyl)-N,N-dimethylpiperazine-1-sulfonamide?
The InChIKey is KFSXNRAMVCJXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3S/c1-11(2)17(15,16)13-7-5-12(6-8-13)9(14)3-4-10/h3,5-8H2,1-2H3.
What are the key properties of 4-(2-cyanoacetyl)-N,N-dimethylpiperazine-1-sulfonamide?
4-(2-cyanoacetyl)-N,N-dimethylpiperazine-1-sulfonamide has a molecular weight of 260.32 g/mol, XLogP of -1.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyanoacetyl)-N,N-dimethylpiperazine-1-sulfonamide is sourced from PubChem (CID 108567474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).