N-[1-(6-chloropyrazin-2-yl)piperidin-4-yl]-N-ethylmethanesulfonamide

C12H19ClN4O2S — CID 71996512

IUPACN-[1-(6-chloropyrazin-2-yl)piperidin-4-yl]-N-ethylmethanesulfonamide
SMILESCCN(C1CCN(c2cncc(Cl)n2)CC1)S(C)(=O)=O
InChIInChI=1S/C12H19ClN4O2S/c1-3-17(20(2,18)19)10-4-6-16(7-5-10)12-9-14-8-11(13)15-12/h8-10H,3-7H2,1-2H3
InChIKeyGDWFHABQKXIDJD-UHFFFAOYSA-N
MW318.83 g/mol
LogP1.38
Rot. Bonds4

About N-[1-(6-chloropyrazin-2-yl)piperidin-4-yl]-N-ethylmethanesulfonamide

N-[1-(6-chloropyrazin-2-yl)piperidin-4-yl]-N-ethylmethanesulfonamide (PubChem CID 71996512) has the molecular formula C12H19ClN4O2S and a molecular weight of 318.83 g/mol. Its IUPAC name is N-[1-(6-chloropyrazin-2-yl)piperidin-4-yl]-N-ethylmethanesulfonamide.

Molecular Properties

Compound NameN-[1-(6-chloropyrazin-2-yl)piperidin-4-yl]-N-ethylmethanesulfonamide
PubChem CID71996512
Molecular FormulaC12H19ClN4O2S
Molecular Weight318.83 g/mol
Exact Mass318.09
IUPAC NameN-[1-(6-chloropyrazin-2-yl)piperidin-4-yl]-N-ethylmethanesulfonamide
SMILESCCN(C1CCN(c2cncc(Cl)n2)CC1)S(C)(=O)=O
InChIInChI=1S/C12H19ClN4O2S/c1-3-17(20(2,18)19)10-4-6-16(7-5-10)12-9-14-8-11(13)15-12/h8-10H,3-7H2,1-2H3
InChIKeyGDWFHABQKXIDJD-UHFFFAOYSA-N
XLogP1.38
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[1-(6-chloropyrazin-2-yl)piperidin-4-yl]-N-ethylmethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-chloropyrazin-2-yl)piperidin-4-yl]-N-ethylmethanesulfonamide?
The IUPAC name of N-[1-(6-chloropyrazin-2-yl)piperidin-4-yl]-N-ethylmethanesulfonamide (CID 71996512) is N-[1-(6-chloropyrazin-2-yl)piperidin-4-yl]-N-ethylmethanesulfonamide.
What is the SMILES notation for N-[1-(6-chloropyrazin-2-yl)piperidin-4-yl]-N-ethylmethanesulfonamide?
The canonical SMILES for N-[1-(6-chloropyrazin-2-yl)piperidin-4-yl]-N-ethylmethanesulfonamide is CCN(C1CCN(c2cncc(Cl)n2)CC1)S(C)(=O)=O.
What is the InChIKey of N-[1-(6-chloropyrazin-2-yl)piperidin-4-yl]-N-ethylmethanesulfonamide?
The InChIKey is GDWFHABQKXIDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O2S/c1-3-17(20(2,18)19)10-4-6-16(7-5-10)12-9-14-8-11(13)15-12/h8-10H,3-7H2,1-2H3.
What are the key properties of N-[1-(6-chloropyrazin-2-yl)piperidin-4-yl]-N-ethylmethanesulfonamide?
N-[1-(6-chloropyrazin-2-yl)piperidin-4-yl]-N-ethylmethanesulfonamide has a molecular weight of 318.83 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-chloropyrazin-2-yl)piperidin-4-yl]-N-ethylmethanesulfonamide is sourced from PubChem (CID 71996512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).