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

C12H17N5O2S — CID 90588983

IUPACN-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCCn1ccnc1-c1ncccn1
InChIInChI=1S/C12H17N5O2S/c1-10(2)20(18,19)16-7-9-17-8-6-15-12(17)11-13-4-3-5-14-11/h3-6,8,10,16H,7,9H2,1-2H3
InChIKeyRABSFNVSNKUIBN-UHFFFAOYSA-N
MW295.37 g/mol
LogP0.67
Rot. Bonds6

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

N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]propane-2-sulfonamide (PubChem CID 90588983) 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-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]propane-2-sulfonamide
PubChem CID90588983
Molecular FormulaC12H17N5O2S
Molecular Weight295.37 g/mol
Exact Mass295.11
IUPAC NameN-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCCn1ccnc1-c1ncccn1
InChIInChI=1S/C12H17N5O2S/c1-10(2)20(18,19)16-7-9-17-8-6-15-12(17)11-13-4-3-5-14-11/h3-6,8,10,16H,7,9H2,1-2H3
InChIKeyRABSFNVSNKUIBN-UHFFFAOYSA-N
XLogP0.67
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
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-2-sulfonamide?
The IUPAC name of N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]propane-2-sulfonamide (CID 90588983) is N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]propane-2-sulfonamide.
What is the SMILES notation for N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]propane-2-sulfonamide?
The canonical SMILES for N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]propane-2-sulfonamide is CC(C)S(=O)(=O)NCCn1ccnc1-c1ncccn1.
What is the InChIKey of N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]propane-2-sulfonamide?
The InChIKey is RABSFNVSNKUIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2S/c1-10(2)20(18,19)16-7-9-17-8-6-15-12(17)11-13-4-3-5-14-11/h3-6,8,10,16H,7,9H2,1-2H3.
What are the key properties of N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]propane-2-sulfonamide?
N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]propane-2-sulfonamide has a molecular weight of 295.37 g/mol, XLogP of 0.67, 6 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-2-sulfonamide is sourced from PubChem (CID 90588983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).