2-(propylaminomethyl)-N-pyrimidin-5-ylthiophene-3-sulfonamide

C12H16N4O2S2 — CID 106088593

IUPAC2-(propylaminomethyl)-N-pyrimidin-5-ylthiophene-3-sulfonamide
SMILESCCCNCc1sccc1S(=O)(=O)Nc1cncnc1
InChIInChI=1S/C12H16N4O2S2/c1-2-4-13-8-11-12(3-5-19-11)20(17,18)16-10-6-14-9-15-7-10/h3,5-7,9,13,16H,2,4,8H2,1H3
InChIKeyLHQGXEGORUZBFD-UHFFFAOYSA-N
MW312.42 g/mol
LogP1.84
Rot. Bonds7

About 2-(propylaminomethyl)-N-pyrimidin-5-ylthiophene-3-sulfonamide

2-(propylaminomethyl)-N-pyrimidin-5-ylthiophene-3-sulfonamide (PubChem CID 106088593) has the molecular formula C12H16N4O2S2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 2-(propylaminomethyl)-N-pyrimidin-5-ylthiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(propylaminomethyl)-N-pyrimidin-5-ylthiophene-3-sulfonamide
PubChem CID106088593
Molecular FormulaC12H16N4O2S2
Molecular Weight312.42 g/mol
Exact Mass312.07
IUPAC Name2-(propylaminomethyl)-N-pyrimidin-5-ylthiophene-3-sulfonamide
SMILESCCCNCc1sccc1S(=O)(=O)Nc1cncnc1
InChIInChI=1S/C12H16N4O2S2/c1-2-4-13-8-11-12(3-5-19-11)20(17,18)16-10-6-14-9-15-7-10/h3,5-7,9,13,16H,2,4,8H2,1H3
InChIKeyLHQGXEGORUZBFD-UHFFFAOYSA-N
XLogP1.84
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 51.84
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

2-(methylaminomethyl)-N-pyrimidin-5-ylthiophene-3-sulfonamide
CID 106088650
N-(4-bromophenyl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106061353
N-(5-methyl-1,3-thiazol-2-yl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106060935
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106082739
N-(3-methylpentan-3-yl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106331888
N-[2-(dimethylamino)propyl]-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106017177
2-(propylaminomethyl)-N-(2,2,3,3-tetramethylcyclopropyl)thiophene-3-sulfonamide
CID 79361702
N-(2-methyl-2-methylsulfanylpropyl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106080826
5-(propylaminomethyl)-N-pyrimidin-5-ylfuran-2-sulfonamide
CID 106088778
N-(2-ethoxypropyl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106078715
N-(cyclopentylmethyl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106026704
N-[(1-methylpyrazol-3-yl)methyl]-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106076401

Frequently Asked Questions

What is the IUPAC name of 2-(propylaminomethyl)-N-pyrimidin-5-ylthiophene-3-sulfonamide?
The IUPAC name of 2-(propylaminomethyl)-N-pyrimidin-5-ylthiophene-3-sulfonamide (CID 106088593) is 2-(propylaminomethyl)-N-pyrimidin-5-ylthiophene-3-sulfonamide.
What is the SMILES notation for 2-(propylaminomethyl)-N-pyrimidin-5-ylthiophene-3-sulfonamide?
The canonical SMILES for 2-(propylaminomethyl)-N-pyrimidin-5-ylthiophene-3-sulfonamide is CCCNCc1sccc1S(=O)(=O)Nc1cncnc1.
What is the InChIKey of 2-(propylaminomethyl)-N-pyrimidin-5-ylthiophene-3-sulfonamide?
The InChIKey is LHQGXEGORUZBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S2/c1-2-4-13-8-11-12(3-5-19-11)20(17,18)16-10-6-14-9-15-7-10/h3,5-7,9,13,16H,2,4,8H2,1H3.
What are the key properties of 2-(propylaminomethyl)-N-pyrimidin-5-ylthiophene-3-sulfonamide?
2-(propylaminomethyl)-N-pyrimidin-5-ylthiophene-3-sulfonamide has a molecular weight of 312.42 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propylaminomethyl)-N-pyrimidin-5-ylthiophene-3-sulfonamide is sourced from PubChem (CID 106088593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).