N-(4-acetylpiperazin-1-yl)sulfonyl-N-(cyanomethyl)acetamide

C10H16N4O4S — CID 171517709

IUPACN-(4-acetylpiperazin-1-yl)sulfonyl-N-(cyanomethyl)acetamide
SMILESCC(=O)N1CCN(S(=O)(=O)N(CC#N)C(C)=O)CC1
InChIInChI=1S/C10H16N4O4S/c1-9(15)12-5-7-13(8-6-12)19(17,18)14(4-3-11)10(2)16/h4-8H2,1-2H3
InChIKeyXBTQGPZYOALAAF-UHFFFAOYSA-N
MW288.33 g/mol
LogP-1.23
Rot. Bonds3

About N-(4-acetylpiperazin-1-yl)sulfonyl-N-(cyanomethyl)acetamide

N-(4-acetylpiperazin-1-yl)sulfonyl-N-(cyanomethyl)acetamide (PubChem CID 171517709) has the molecular formula C10H16N4O4S and a molecular weight of 288.33 g/mol. Its IUPAC name is N-(4-acetylpiperazin-1-yl)sulfonyl-N-(cyanomethyl)acetamide.

Molecular Properties

Compound NameN-(4-acetylpiperazin-1-yl)sulfonyl-N-(cyanomethyl)acetamide
PubChem CID171517709
Molecular FormulaC10H16N4O4S
Molecular Weight288.33 g/mol
Exact Mass288.09
IUPAC NameN-(4-acetylpiperazin-1-yl)sulfonyl-N-(cyanomethyl)acetamide
SMILESCC(=O)N1CCN(S(=O)(=O)N(CC#N)C(C)=O)CC1
InChIInChI=1S/C10H16N4O4S/c1-9(15)12-5-7-13(8-6-12)19(17,18)14(4-3-11)10(2)16/h4-8H2,1-2H3
InChIKeyXBTQGPZYOALAAF-UHFFFAOYSA-N
XLogP-1.23
TPSA101.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 5-1.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetylpiperazin-1-yl)sulfonyl-N-(cyanomethyl)acetamide?
The IUPAC name of N-(4-acetylpiperazin-1-yl)sulfonyl-N-(cyanomethyl)acetamide (CID 171517709) is N-(4-acetylpiperazin-1-yl)sulfonyl-N-(cyanomethyl)acetamide.
What is the SMILES notation for N-(4-acetylpiperazin-1-yl)sulfonyl-N-(cyanomethyl)acetamide?
The canonical SMILES for N-(4-acetylpiperazin-1-yl)sulfonyl-N-(cyanomethyl)acetamide is CC(=O)N1CCN(S(=O)(=O)N(CC#N)C(C)=O)CC1.
What is the InChIKey of N-(4-acetylpiperazin-1-yl)sulfonyl-N-(cyanomethyl)acetamide?
The InChIKey is XBTQGPZYOALAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O4S/c1-9(15)12-5-7-13(8-6-12)19(17,18)14(4-3-11)10(2)16/h4-8H2,1-2H3.
What are the key properties of N-(4-acetylpiperazin-1-yl)sulfonyl-N-(cyanomethyl)acetamide?
N-(4-acetylpiperazin-1-yl)sulfonyl-N-(cyanomethyl)acetamide has a molecular weight of 288.33 g/mol, XLogP of -1.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylpiperazin-1-yl)sulfonyl-N-(cyanomethyl)acetamide is sourced from PubChem (CID 171517709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).