4-acetyl-N-(2-cyanoethyl)-N-methylpiperazine-1-sulfonamide

C10H18N4O3S — CID 35430985

IUPAC4-acetyl-N-(2-cyanoethyl)-N-methylpiperazine-1-sulfonamide
SMILESCC(=O)N1CCN(S(=O)(=O)N(C)CCC#N)CC1
InChIInChI=1S/C10H18N4O3S/c1-10(15)13-6-8-14(9-7-13)18(16,17)12(2)5-3-4-11/h3,5-9H2,1-2H3
InChIKeyUFNGZDSPZAMCKX-UHFFFAOYSA-N
MW274.35 g/mol
LogP-0.76
Rot. Bonds4

About 4-acetyl-N-(2-cyanoethyl)-N-methylpiperazine-1-sulfonamide

4-acetyl-N-(2-cyanoethyl)-N-methylpiperazine-1-sulfonamide (PubChem CID 35430985) has the molecular formula C10H18N4O3S and a molecular weight of 274.35 g/mol. Its IUPAC name is 4-acetyl-N-(2-cyanoethyl)-N-methylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-acetyl-N-(2-cyanoethyl)-N-methylpiperazine-1-sulfonamide
PubChem CID35430985
Molecular FormulaC10H18N4O3S
Molecular Weight274.35 g/mol
Exact Mass274.11
IUPAC Name4-acetyl-N-(2-cyanoethyl)-N-methylpiperazine-1-sulfonamide
SMILESCC(=O)N1CCN(S(=O)(=O)N(C)CCC#N)CC1
InChIInChI=1S/C10H18N4O3S/c1-10(15)13-6-8-14(9-7-13)18(16,17)12(2)5-3-4-11/h3,5-9H2,1-2H3
InChIKeyUFNGZDSPZAMCKX-UHFFFAOYSA-N
XLogP-0.76
TPSA84.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 5-0.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(2-cyanoethyl)-N-methylpiperazine-1-sulfonamide?
The IUPAC name of 4-acetyl-N-(2-cyanoethyl)-N-methylpiperazine-1-sulfonamide (CID 35430985) is 4-acetyl-N-(2-cyanoethyl)-N-methylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-acetyl-N-(2-cyanoethyl)-N-methylpiperazine-1-sulfonamide?
The canonical SMILES for 4-acetyl-N-(2-cyanoethyl)-N-methylpiperazine-1-sulfonamide is CC(=O)N1CCN(S(=O)(=O)N(C)CCC#N)CC1.
What is the InChIKey of 4-acetyl-N-(2-cyanoethyl)-N-methylpiperazine-1-sulfonamide?
The InChIKey is UFNGZDSPZAMCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3S/c1-10(15)13-6-8-14(9-7-13)18(16,17)12(2)5-3-4-11/h3,5-9H2,1-2H3.
What are the key properties of 4-acetyl-N-(2-cyanoethyl)-N-methylpiperazine-1-sulfonamide?
4-acetyl-N-(2-cyanoethyl)-N-methylpiperazine-1-sulfonamide has a molecular weight of 274.35 g/mol, XLogP of -0.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(2-cyanoethyl)-N-methylpiperazine-1-sulfonamide is sourced from PubChem (CID 35430985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).