2-cyano-N,N-dipropylpiperazine-1-sulfonamide

C11H22N4O2S — CID 79092374

IUPAC2-cyano-N,N-dipropylpiperazine-1-sulfonamide
SMILESCCCN(CCC)S(=O)(=O)N1CCNCC1C#N
InChIInChI=1S/C11H22N4O2S/c1-3-6-14(7-4-2)18(16,17)15-8-5-13-10-11(15)9-12/h11,13H,3-8,10H2,1-2H3
InChIKeyGKBQRRUUHRHBFX-UHFFFAOYSA-N
MW274.39 g/mol
LogP0.15
Rot. Bonds6

About 2-cyano-N,N-dipropylpiperazine-1-sulfonamide

2-cyano-N,N-dipropylpiperazine-1-sulfonamide (PubChem CID 79092374) has the molecular formula C11H22N4O2S and a molecular weight of 274.39 g/mol. Its IUPAC name is 2-cyano-N,N-dipropylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name2-cyano-N,N-dipropylpiperazine-1-sulfonamide
PubChem CID79092374
Molecular FormulaC11H22N4O2S
Molecular Weight274.39 g/mol
Exact Mass274.15
IUPAC Name2-cyano-N,N-dipropylpiperazine-1-sulfonamide
SMILESCCCN(CCC)S(=O)(=O)N1CCNCC1C#N
InChIInChI=1S/C11H22N4O2S/c1-3-6-14(7-4-2)18(16,17)15-8-5-13-10-11(15)9-12/h11,13H,3-8,10H2,1-2H3
InChIKeyGKBQRRUUHRHBFX-UHFFFAOYSA-N
XLogP0.15
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N,N-dipropylpiperazine-1-sulfonamide?
The IUPAC name of 2-cyano-N,N-dipropylpiperazine-1-sulfonamide (CID 79092374) is 2-cyano-N,N-dipropylpiperazine-1-sulfonamide.
What is the SMILES notation for 2-cyano-N,N-dipropylpiperazine-1-sulfonamide?
The canonical SMILES for 2-cyano-N,N-dipropylpiperazine-1-sulfonamide is CCCN(CCC)S(=O)(=O)N1CCNCC1C#N.
What is the InChIKey of 2-cyano-N,N-dipropylpiperazine-1-sulfonamide?
The InChIKey is GKBQRRUUHRHBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2S/c1-3-6-14(7-4-2)18(16,17)15-8-5-13-10-11(15)9-12/h11,13H,3-8,10H2,1-2H3.
What are the key properties of 2-cyano-N,N-dipropylpiperazine-1-sulfonamide?
2-cyano-N,N-dipropylpiperazine-1-sulfonamide has a molecular weight of 274.39 g/mol, XLogP of 0.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N,N-dipropylpiperazine-1-sulfonamide is sourced from PubChem (CID 79092374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).