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

C13H19N5O2S — CID 90588985

IUPACN-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCCn1ccnc1-c1ncccn1
InChIInChI=1S/C13H19N5O2S/c1-2-3-11-21(19,20)17-8-10-18-9-7-16-13(18)12-14-5-4-6-15-12/h4-7,9,17H,2-3,8,10-11H2,1H3
InChIKeyUOADWOLFMWJNRM-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.06
Rot. Bonds8

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

N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]butane-1-sulfonamide (PubChem CID 90588985) has the molecular formula C13H19N5O2S and a molecular weight of 309.39 g/mol. Its IUPAC name is N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]butane-1-sulfonamide
PubChem CID90588985
Molecular FormulaC13H19N5O2S
Molecular Weight309.39 g/mol
Exact Mass309.13
IUPAC NameN-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCCn1ccnc1-c1ncccn1
InChIInChI=1S/C13H19N5O2S/c1-2-3-11-21(19,20)17-8-10-18-9-7-16-13(18)12-14-5-4-6-15-12/h4-7,9,17H,2-3,8,10-11H2,1H3
InChIKeyUOADWOLFMWJNRM-UHFFFAOYSA-N
XLogP1.06
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.06
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]butane-1-sulfonamide?
The IUPAC name of N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]butane-1-sulfonamide (CID 90588985) is N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]butane-1-sulfonamide.
What is the SMILES notation for N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]butane-1-sulfonamide?
The canonical SMILES for N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]butane-1-sulfonamide is CCCCS(=O)(=O)NCCn1ccnc1-c1ncccn1.
What is the InChIKey of N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]butane-1-sulfonamide?
The InChIKey is UOADWOLFMWJNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2S/c1-2-3-11-21(19,20)17-8-10-18-9-7-16-13(18)12-14-5-4-6-15-12/h4-7,9,17H,2-3,8,10-11H2,1H3.
What are the key properties of N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]butane-1-sulfonamide?
N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]butane-1-sulfonamide has a molecular weight of 309.39 g/mol, XLogP of 1.06, 8 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]butane-1-sulfonamide is sourced from PubChem (CID 90588985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).