N-methyl-2-piperazin-1-yl-N-(1,3-thiazol-4-ylmethyl)ethanesulfonamide

C11H20N4O2S2 — CID 55012319

IUPACN-methyl-2-piperazin-1-yl-N-(1,3-thiazol-4-ylmethyl)ethanesulfonamide
SMILESCN(Cc1cscn1)S(=O)(=O)CCN1CCNCC1
InChIInChI=1S/C11H20N4O2S2/c1-14(8-11-9-18-10-13-11)19(16,17)7-6-15-4-2-12-3-5-15/h9-10,12H,2-8H2,1H3
InChIKeyHZZPIKRTUKQBGQ-UHFFFAOYSA-N
MW304.44 g/mol
LogP-0.19
Rot. Bonds6

About N-methyl-2-piperazin-1-yl-N-(1,3-thiazol-4-ylmethyl)ethanesulfonamide

N-methyl-2-piperazin-1-yl-N-(1,3-thiazol-4-ylmethyl)ethanesulfonamide (PubChem CID 55012319) has the molecular formula C11H20N4O2S2 and a molecular weight of 304.44 g/mol. Its IUPAC name is N-methyl-2-piperazin-1-yl-N-(1,3-thiazol-4-ylmethyl)ethanesulfonamide.

Molecular Properties

Compound NameN-methyl-2-piperazin-1-yl-N-(1,3-thiazol-4-ylmethyl)ethanesulfonamide
PubChem CID55012319
Molecular FormulaC11H20N4O2S2
Molecular Weight304.44 g/mol
Exact Mass304.10
IUPAC NameN-methyl-2-piperazin-1-yl-N-(1,3-thiazol-4-ylmethyl)ethanesulfonamide
SMILESCN(Cc1cscn1)S(=O)(=O)CCN1CCNCC1
InChIInChI=1S/C11H20N4O2S2/c1-14(8-11-9-18-10-13-11)19(16,17)7-6-15-4-2-12-3-5-15/h9-10,12H,2-8H2,1H3
InChIKeyHZZPIKRTUKQBGQ-UHFFFAOYSA-N
XLogP-0.19
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-2-piperazin-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)ethanesulfonamide
CID 64518286
2-piperazin-1-yl-N-[2-(1,3-thiazol-4-yl)ethyl]ethanesulfonamide
CID 63826102
4-[methyl(1,3-thiazol-4-ylmethyl)sulfamoyl]butanoic acid
CID 55013682
N-(2-methoxyethyl)-N-methyl-2-piperazin-1-ylethanesulfonamide
CID 54972243
N-(1,3-thiazol-4-ylmethyl)piperazine-1-sulfonamide
CID 63823781
N-(3-methoxypropyl)-N-methyl-2-piperazin-1-ylethanesulfonamide
CID 63009964
N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)piperidine-3-carboxamide
CID 55164319
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-2-piperazin-1-ylethanesulfonamide
CID 79311349
2-methyl-2-piperazin-1-yl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 80549972
N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-1-carboxamide
CID 115592952
N-methyl-3-piperidin-4-yl-N-(1,3-thiazol-4-ylmethyl)butanamide;dihydrochloride
CID 119864913
N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(2-piperazin-1-ylethyl)methanesulfonamide
CID 63265679

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-piperazin-1-yl-N-(1,3-thiazol-4-ylmethyl)ethanesulfonamide?
The IUPAC name of N-methyl-2-piperazin-1-yl-N-(1,3-thiazol-4-ylmethyl)ethanesulfonamide (CID 55012319) is N-methyl-2-piperazin-1-yl-N-(1,3-thiazol-4-ylmethyl)ethanesulfonamide.
What is the SMILES notation for N-methyl-2-piperazin-1-yl-N-(1,3-thiazol-4-ylmethyl)ethanesulfonamide?
The canonical SMILES for N-methyl-2-piperazin-1-yl-N-(1,3-thiazol-4-ylmethyl)ethanesulfonamide is CN(Cc1cscn1)S(=O)(=O)CCN1CCNCC1.
What is the InChIKey of N-methyl-2-piperazin-1-yl-N-(1,3-thiazol-4-ylmethyl)ethanesulfonamide?
The InChIKey is HZZPIKRTUKQBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S2/c1-14(8-11-9-18-10-13-11)19(16,17)7-6-15-4-2-12-3-5-15/h9-10,12H,2-8H2,1H3.
What are the key properties of N-methyl-2-piperazin-1-yl-N-(1,3-thiazol-4-ylmethyl)ethanesulfonamide?
N-methyl-2-piperazin-1-yl-N-(1,3-thiazol-4-ylmethyl)ethanesulfonamide has a molecular weight of 304.44 g/mol, XLogP of -0.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-piperazin-1-yl-N-(1,3-thiazol-4-ylmethyl)ethanesulfonamide is sourced from PubChem (CID 55012319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).