2-(propylamino)-N-thiophen-3-ylpyrimidine-5-sulfonamide

C11H14N4O2S2 — CID 66353570

IUPAC2-(propylamino)-N-thiophen-3-ylpyrimidine-5-sulfonamide
SMILESCCCNc1ncc(S(=O)(=O)Nc2ccsc2)cn1
InChIInChI=1S/C11H14N4O2S2/c1-2-4-12-11-13-6-10(7-14-11)19(16,17)15-9-3-5-18-8-9/h3,5-8,15H,2,4H2,1H3,(H,12,13,14)
InChIKeyOTDBRXWWCLUARZ-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.16
Rot. Bonds6

About 2-(propylamino)-N-thiophen-3-ylpyrimidine-5-sulfonamide

2-(propylamino)-N-thiophen-3-ylpyrimidine-5-sulfonamide (PubChem CID 66353570) has the molecular formula C11H14N4O2S2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-(propylamino)-N-thiophen-3-ylpyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-(propylamino)-N-thiophen-3-ylpyrimidine-5-sulfonamide
PubChem CID66353570
Molecular FormulaC11H14N4O2S2
Molecular Weight298.39 g/mol
Exact Mass298.06
IUPAC Name2-(propylamino)-N-thiophen-3-ylpyrimidine-5-sulfonamide
SMILESCCCNc1ncc(S(=O)(=O)Nc2ccsc2)cn1
InChIInChI=1S/C11H14N4O2S2/c1-2-4-12-11-13-6-10(7-14-11)19(16,17)15-9-3-5-18-8-9/h3,5-8,15H,2,4H2,1H3,(H,12,13,14)
InChIKeyOTDBRXWWCLUARZ-UHFFFAOYSA-N
XLogP2.16
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(propylamino)-N-thiophen-3-ylpyridine-3-sulfonamide
CID 66354410
5-chloro-6-(propylamino)-N-thiophen-3-ylpyridine-3-sulfonamide
CID 66354828
N-(4-methylphenyl)-2-(propylamino)pyrimidine-5-sulfonamide
CID 62144387
1-[2-(propylamino)ethyl]-N-thiophen-3-ylpyrazole-4-sulfonamide
CID 106069903
1-ethyl-N-thiophen-3-ylpyrazole-4-sulfonamide
CID 71998246
2-(propylamino)-N-(thiophen-2-ylmethyl)pyrimidine-5-sulfonamide
CID 62142703
N-(2,2-dimethylpropyl)-2-(propylamino)pyrimidine-5-sulfonamide
CID 62147457
6-hydrazinyl-N-thiophen-3-ylpyridine-3-sulfonamide
CID 66355225
3-(propylaminomethyl)-N-thiophen-3-ylbenzenesulfonamide
CID 106070111
2-(ethylamino)-N-(4-methylphenyl)pyrimidine-5-sulfonamide
CID 62144386
3-amino-4-ethyl-N-thiophen-3-ylbenzenesulfonamide
CID 66352299
4-[2-(methylamino)ethyl]-N-thiophen-3-ylbenzenesulfonamide
CID 106070098

Frequently Asked Questions

What is the IUPAC name of 2-(propylamino)-N-thiophen-3-ylpyrimidine-5-sulfonamide?
The IUPAC name of 2-(propylamino)-N-thiophen-3-ylpyrimidine-5-sulfonamide (CID 66353570) is 2-(propylamino)-N-thiophen-3-ylpyrimidine-5-sulfonamide.
What is the SMILES notation for 2-(propylamino)-N-thiophen-3-ylpyrimidine-5-sulfonamide?
The canonical SMILES for 2-(propylamino)-N-thiophen-3-ylpyrimidine-5-sulfonamide is CCCNc1ncc(S(=O)(=O)Nc2ccsc2)cn1.
What is the InChIKey of 2-(propylamino)-N-thiophen-3-ylpyrimidine-5-sulfonamide?
The InChIKey is OTDBRXWWCLUARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S2/c1-2-4-12-11-13-6-10(7-14-11)19(16,17)15-9-3-5-18-8-9/h3,5-8,15H,2,4H2,1H3,(H,12,13,14).
What are the key properties of 2-(propylamino)-N-thiophen-3-ylpyrimidine-5-sulfonamide?
2-(propylamino)-N-thiophen-3-ylpyrimidine-5-sulfonamide has a molecular weight of 298.39 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propylamino)-N-thiophen-3-ylpyrimidine-5-sulfonamide is sourced from PubChem (CID 66353570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).