N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]propane-1-sulfonamide

C12H17N5O2S — CID 90588982

IUPACN-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCn1ccnc1-c1ncccn1
InChIInChI=1S/C12H17N5O2S/c1-2-10-20(18,19)16-7-9-17-8-6-15-12(17)11-13-4-3-5-14-11/h3-6,8,16H,2,7,9-10H2,1H3
InChIKeyYFVDAJCQSVBBNY-UHFFFAOYSA-N
MW295.37 g/mol
LogP0.67
Rot. Bonds7

About N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]propane-1-sulfonamide

N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]propane-1-sulfonamide (PubChem CID 90588982) has the molecular formula C12H17N5O2S and a molecular weight of 295.37 g/mol. Its IUPAC name is N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]propane-1-sulfonamide
PubChem CID90588982
Molecular FormulaC12H17N5O2S
Molecular Weight295.37 g/mol
Exact Mass295.11
IUPAC NameN-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCn1ccnc1-c1ncccn1
InChIInChI=1S/C12H17N5O2S/c1-2-10-20(18,19)16-7-9-17-8-6-15-12(17)11-13-4-3-5-14-11/h3-6,8,16H,2,7,9-10H2,1H3
InChIKeyYFVDAJCQSVBBNY-UHFFFAOYSA-N
XLogP0.67
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]propane-1-sulfonamide?
The IUPAC name of N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]propane-1-sulfonamide (CID 90588982) is N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]propane-1-sulfonamide?
The canonical SMILES for N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]propane-1-sulfonamide is CCCS(=O)(=O)NCCn1ccnc1-c1ncccn1.
What is the InChIKey of N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]propane-1-sulfonamide?
The InChIKey is YFVDAJCQSVBBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2S/c1-2-10-20(18,19)16-7-9-17-8-6-15-12(17)11-13-4-3-5-14-11/h3-6,8,16H,2,7,9-10H2,1H3.
What are the key properties of N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]propane-1-sulfonamide?
N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]propane-1-sulfonamide has a molecular weight of 295.37 g/mol, XLogP of 0.67, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]propane-1-sulfonamide is sourced from PubChem (CID 90588982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).