N-[2-(4-acetylpiperazin-1-yl)ethyl]piperidine-1-sulfonamide

C13H26N4O3S — CID 71895834

IUPACN-[2-(4-acetylpiperazin-1-yl)ethyl]piperidine-1-sulfonamide
SMILESCC(=O)N1CCN(CCNS(=O)(=O)N2CCCCC2)CC1
InChIInChI=1S/C13H26N4O3S/c1-13(18)16-11-9-15(10-12-16)8-5-14-21(19,20)17-6-3-2-4-7-17/h14H,2-12H2,1H3
InChIKeyBGYGFFAJBJODIG-UHFFFAOYSA-N
MW318.44 g/mol
LogP-0.53
Rot. Bonds5

About N-[2-(4-acetylpiperazin-1-yl)ethyl]piperidine-1-sulfonamide

N-[2-(4-acetylpiperazin-1-yl)ethyl]piperidine-1-sulfonamide (PubChem CID 71895834) has the molecular formula C13H26N4O3S and a molecular weight of 318.44 g/mol. Its IUPAC name is N-[2-(4-acetylpiperazin-1-yl)ethyl]piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-acetylpiperazin-1-yl)ethyl]piperidine-1-sulfonamide
PubChem CID71895834
Molecular FormulaC13H26N4O3S
Molecular Weight318.44 g/mol
Exact Mass318.17
IUPAC NameN-[2-(4-acetylpiperazin-1-yl)ethyl]piperidine-1-sulfonamide
SMILESCC(=O)N1CCN(CCNS(=O)(=O)N2CCCCC2)CC1
InChIInChI=1S/C13H26N4O3S/c1-13(18)16-11-9-15(10-12-16)8-5-14-21(19,20)17-6-3-2-4-7-17/h14H,2-12H2,1H3
InChIKeyBGYGFFAJBJODIG-UHFFFAOYSA-N
XLogP-0.53
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-acetylpiperazin-1-yl)ethyl]piperidine-1-sulfonamide?
The IUPAC name of N-[2-(4-acetylpiperazin-1-yl)ethyl]piperidine-1-sulfonamide (CID 71895834) is N-[2-(4-acetylpiperazin-1-yl)ethyl]piperidine-1-sulfonamide.
What is the SMILES notation for N-[2-(4-acetylpiperazin-1-yl)ethyl]piperidine-1-sulfonamide?
The canonical SMILES for N-[2-(4-acetylpiperazin-1-yl)ethyl]piperidine-1-sulfonamide is CC(=O)N1CCN(CCNS(=O)(=O)N2CCCCC2)CC1.
What is the InChIKey of N-[2-(4-acetylpiperazin-1-yl)ethyl]piperidine-1-sulfonamide?
The InChIKey is BGYGFFAJBJODIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O3S/c1-13(18)16-11-9-15(10-12-16)8-5-14-21(19,20)17-6-3-2-4-7-17/h14H,2-12H2,1H3.
What are the key properties of N-[2-(4-acetylpiperazin-1-yl)ethyl]piperidine-1-sulfonamide?
N-[2-(4-acetylpiperazin-1-yl)ethyl]piperidine-1-sulfonamide has a molecular weight of 318.44 g/mol, XLogP of -0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-acetylpiperazin-1-yl)ethyl]piperidine-1-sulfonamide is sourced from PubChem (CID 71895834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).