N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanesulfonamide

C12H20N4O2S — CID 113011044

IUPACN-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(N2CCN(C)CC2)nc1
InChIInChI=1S/C12H20N4O2S/c1-3-19(17,18)14-11-4-5-12(13-10-11)16-8-6-15(2)7-9-16/h4-5,10,14H,3,6-9H2,1-2H3
InChIKeyWYUGCUDCNOIGMB-UHFFFAOYSA-N
MW284.39 g/mol
LogP0.60
Rot. Bonds4

About N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanesulfonamide

N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanesulfonamide (PubChem CID 113011044) has the molecular formula C12H20N4O2S and a molecular weight of 284.39 g/mol. Its IUPAC name is N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanesulfonamide
PubChem CID113011044
Molecular FormulaC12H20N4O2S
Molecular Weight284.39 g/mol
Exact Mass284.13
IUPAC NameN-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(N2CCN(C)CC2)nc1
InChIInChI=1S/C12H20N4O2S/c1-3-19(17,18)14-11-4-5-12(13-10-11)16-8-6-15(2)7-9-16/h4-5,10,14H,3,6-9H2,1-2H3
InChIKeyWYUGCUDCNOIGMB-UHFFFAOYSA-N
XLogP0.60
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-morpholin-4-yl-3-pyridinyl)ethanesulfonamide
CID 53016560
N-[6-(azepan-1-yl)-3-pyridinyl]butane-1-sulfonamide
CID 113015936
N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]ethanesulfonamide
CID 113014461
N-[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]propane-1-sulfonamide
CID 113014317
N-[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]ethanesulfonamide
CID 113016723
N-(6-imidazol-1-yl-3-pyridinyl)ethanesulfonamide
CID 64592738
4-chloro-N-(6-pyrrolidin-1-yl-3-pyridinyl)butane-1-sulfonamide
CID 116815598
4-ethyl-N-[6-(4-propylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide;hydrochloride
CID 69172168
1-methyl-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]thiourea
CID 94591482
4-[(6-pyrrolidin-1-yl-3-pyridinyl)sulfamoyl]butanoic acid
CID 43708063
3-amino-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]butanamide
CID 120872707
N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-phenylbutanamide
CID 51327852

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanesulfonamide?
The IUPAC name of N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanesulfonamide (CID 113011044) is N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanesulfonamide.
What is the SMILES notation for N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanesulfonamide?
The canonical SMILES for N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(N2CCN(C)CC2)nc1.
What is the InChIKey of N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanesulfonamide?
The InChIKey is WYUGCUDCNOIGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-3-19(17,18)14-11-4-5-12(13-10-11)16-8-6-15(2)7-9-16/h4-5,10,14H,3,6-9H2,1-2H3.
What are the key properties of N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanesulfonamide?
N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanesulfonamide has a molecular weight of 284.39 g/mol, XLogP of 0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanesulfonamide is sourced from PubChem (CID 113011044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).