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

C13H18N4O2S2 — CID 133472879

IUPACN-[2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide
SMILESCCc1cc(NCCNS(=O)(=O)c2cccs2)nc(C)n1
InChIInChI=1S/C13H18N4O2S2/c1-3-11-9-12(17-10(2)16-11)14-6-7-15-21(18,19)13-5-4-8-20-13/h4-5,8-9,15H,3,6-7H2,1-2H3,(H,14,16,17)
InChIKeyRVUXZZIHKVGWBK-UHFFFAOYSA-N
MW326.45 g/mol
LogP1.80
Rot. Bonds7

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

N-[2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide (PubChem CID 133472879) has the molecular formula C13H18N4O2S2 and a molecular weight of 326.45 g/mol. Its IUPAC name is N-[2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide
PubChem CID133472879
Molecular FormulaC13H18N4O2S2
Molecular Weight326.45 g/mol
Exact Mass326.09
IUPAC NameN-[2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide
SMILESCCc1cc(NCCNS(=O)(=O)c2cccs2)nc(C)n1
InChIInChI=1S/C13H18N4O2S2/c1-3-11-9-12(17-10(2)16-11)14-6-7-15-21(18,19)13-5-4-8-20-13/h4-5,8-9,15H,3,6-7H2,1-2H3,(H,14,16,17)
InChIKeyRVUXZZIHKVGWBK-UHFFFAOYSA-N
XLogP1.80
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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]thiophene-2-sulfonamide
CID 122325341
N-[2-(ethylamino)ethyl]thiophene-2-sulfonamide;hydrochloride
CID 119973565
N-[2-[(6-methyl-5-nitro-2-pyridinyl)amino]ethyl]thiophene-2-sulfonamide
CID 133397523
N-[2-(methylamino)ethyl]thiophene-2-sulfonamide
CID 62658549
N-[2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide
CID 133397420
N-pentylthiophene-2-sulfonamide
CID 5150701
N-[2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide
CID 133421743
N-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethyl]-N-methylthiophene-2-sulfonamide
CID 133387741
6-ethyl-2-methyl-N-(2-phenylethyl)pyrimidin-4-amine
CID 65418225
N-dodecylthiophene-2-sulfonamide
CID 19681497
N,6-diethyl-2-methylpyrimidin-4-amine
CID 62191281

Frequently Asked Questions

What is the IUPAC name of N-[2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide (CID 133472879) is N-[2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide is CCc1cc(NCCNS(=O)(=O)c2cccs2)nc(C)n1.
What is the InChIKey of N-[2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide?
The InChIKey is RVUXZZIHKVGWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S2/c1-3-11-9-12(17-10(2)16-11)14-6-7-15-21(18,19)13-5-4-8-20-13/h4-5,8-9,15H,3,6-7H2,1-2H3,(H,14,16,17).
What are the key properties of N-[2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide?
N-[2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide has a molecular weight of 326.45 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 133472879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).