N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]thiophene-2-sulfonamide

C13H19N5O2S2 — CID 122325341

IUPACN-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]thiophene-2-sulfonamide
SMILESCCNc1nc(C)cc(NCCNS(=O)(=O)c2cccs2)n1
InChIInChI=1S/C13H19N5O2S2/c1-3-14-13-17-10(2)9-11(18-13)15-6-7-16-22(19,20)12-5-4-8-21-12/h4-5,8-9,16H,3,6-7H2,1-2H3,(H2,14,15,17,18)
InChIKeyJJXRZZODXWLFCD-UHFFFAOYSA-N
MW341.46 g/mol
LogP1.67
Rot. Bonds8

About N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]thiophene-2-sulfonamide

N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]thiophene-2-sulfonamide (PubChem CID 122325341) has the molecular formula C13H19N5O2S2 and a molecular weight of 341.46 g/mol. Its IUPAC name is N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]thiophene-2-sulfonamide
PubChem CID122325341
Molecular FormulaC13H19N5O2S2
Molecular Weight341.46 g/mol
Exact Mass341.10
IUPAC NameN-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]thiophene-2-sulfonamide
SMILESCCNc1nc(C)cc(NCCNS(=O)(=O)c2cccs2)n1
InChIInChI=1S/C13H19N5O2S2/c1-3-14-13-17-10(2)9-11(18-13)15-6-7-16-22(19,20)12-5-4-8-21-12/h4-5,8-9,16H,3,6-7H2,1-2H3,(H2,14,15,17,18)
InChIKeyJJXRZZODXWLFCD-UHFFFAOYSA-N
XLogP1.67
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]thiophene-2-sulfonamide
CID 122325526
N-[2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide
CID 133472879
N-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide
CID 133397375
N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-2-(trifluoromethyl)benzenesulfonamide
CID 70703973
5-chloro-N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-2-methoxybenzenesulfonamide
CID 122325569
N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-1,2-dimethylimidazole-4-sulfonamide
CID 122325574
1-(4-chlorophenyl)-N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]methanesulfonamide
CID 122325548
N-[2-(ethylamino)ethyl]thiophene-2-sulfonamide;hydrochloride
CID 119973565
N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-methoxy-5-methylbenzenesulfonamide
CID 122324529
N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-1-methylimidazole-4-sulfonamide
CID 122325559
(E)-N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-2-phenylethenesulfonamide
CID 122325531
N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 70703471

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]thiophene-2-sulfonamide (CID 122325341) is N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]thiophene-2-sulfonamide is CCNc1nc(C)cc(NCCNS(=O)(=O)c2cccs2)n1.
What is the InChIKey of N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]thiophene-2-sulfonamide?
The InChIKey is JJXRZZODXWLFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2S2/c1-3-14-13-17-10(2)9-11(18-13)15-6-7-16-22(19,20)12-5-4-8-21-12/h4-5,8-9,16H,3,6-7H2,1-2H3,(H2,14,15,17,18).
What are the key properties of N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]thiophene-2-sulfonamide?
N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]thiophene-2-sulfonamide has a molecular weight of 341.46 g/mol, XLogP of 1.67, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 122325341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).