2-(ethylamino)-N-(2-thiophen-2-ylethyl)pyrimidine-5-sulfonamide

C12H16N4O2S2 — CID 62144877

IUPAC2-(ethylamino)-N-(2-thiophen-2-ylethyl)pyrimidine-5-sulfonamide
SMILESCCNc1ncc(S(=O)(=O)NCCc2cccs2)cn1
InChIInChI=1S/C12H16N4O2S2/c1-2-13-12-14-8-11(9-15-12)20(17,18)16-6-5-10-4-3-7-19-10/h3-4,7-9,16H,2,5-6H2,1H3,(H,13,14,15)
InChIKeyPVSSFZYEFUKLLD-UHFFFAOYSA-N
MW312.42 g/mol
LogP1.49
Rot. Bonds7

About 2-(ethylamino)-N-(2-thiophen-2-ylethyl)pyrimidine-5-sulfonamide

2-(ethylamino)-N-(2-thiophen-2-ylethyl)pyrimidine-5-sulfonamide (PubChem CID 62144877) has the molecular formula C12H16N4O2S2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 2-(ethylamino)-N-(2-thiophen-2-ylethyl)pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-(ethylamino)-N-(2-thiophen-2-ylethyl)pyrimidine-5-sulfonamide
PubChem CID62144877
Molecular FormulaC12H16N4O2S2
Molecular Weight312.42 g/mol
Exact Mass312.07
IUPAC Name2-(ethylamino)-N-(2-thiophen-2-ylethyl)pyrimidine-5-sulfonamide
SMILESCCNc1ncc(S(=O)(=O)NCCc2cccs2)cn1
InChIInChI=1S/C12H16N4O2S2/c1-2-13-12-14-8-11(9-15-12)20(17,18)16-6-5-10-4-3-7-19-10/h3-4,7-9,16H,2,5-6H2,1H3,(H,13,14,15)
InChIKeyPVSSFZYEFUKLLD-UHFFFAOYSA-N
XLogP1.49
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 ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(ethylamino)-N-(2-thiophen-2-ylethyl)pyridine-3-sulfonamide
CID 62144358
2-(propylamino)-N-(thiophen-2-ylmethyl)pyrimidine-5-sulfonamide
CID 62142703
2-(ethylamino)-N-(2-thiophen-2-ylethyl)pyridine-4-sulfonamide
CID 62145050
4-propyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 3793246
2-(ethylamino)-N-(2-thiophen-2-ylethyl)pyrimidine-5-carboxamide
CID 50985156
2-(ethylamino)-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-5-sulfonamide
CID 103011096
2-(ethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-5-sulfonamide
CID 106408036
2-[[2-(ethylamino)pyrimidin-5-yl]sulfonylamino]ethylurea
CID 83115138
2-(methylamino)-N-(2-thiophen-2-ylethyl)pyridine-4-sulfonamide
CID 62145049
4-(aminomethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 18801910
N-(cyclopropylmethyl)-2-(ethylamino)pyrimidine-5-sulfonamide
CID 62150077
N-[3-(diethylamino)propyl]-2-(ethylamino)pyrimidine-5-sulfonamide
CID 62143309

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-(2-thiophen-2-ylethyl)pyrimidine-5-sulfonamide?
The IUPAC name of 2-(ethylamino)-N-(2-thiophen-2-ylethyl)pyrimidine-5-sulfonamide (CID 62144877) is 2-(ethylamino)-N-(2-thiophen-2-ylethyl)pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-(ethylamino)-N-(2-thiophen-2-ylethyl)pyrimidine-5-sulfonamide?
The canonical SMILES for 2-(ethylamino)-N-(2-thiophen-2-ylethyl)pyrimidine-5-sulfonamide is CCNc1ncc(S(=O)(=O)NCCc2cccs2)cn1.
What is the InChIKey of 2-(ethylamino)-N-(2-thiophen-2-ylethyl)pyrimidine-5-sulfonamide?
The InChIKey is PVSSFZYEFUKLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S2/c1-2-13-12-14-8-11(9-15-12)20(17,18)16-6-5-10-4-3-7-19-10/h3-4,7-9,16H,2,5-6H2,1H3,(H,13,14,15).
What are the key properties of 2-(ethylamino)-N-(2-thiophen-2-ylethyl)pyrimidine-5-sulfonamide?
2-(ethylamino)-N-(2-thiophen-2-ylethyl)pyrimidine-5-sulfonamide has a molecular weight of 312.42 g/mol, XLogP of 1.49, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-(2-thiophen-2-ylethyl)pyrimidine-5-sulfonamide is sourced from PubChem (CID 62144877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).