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

C15H21N5O2S — CID 90588988

IUPACN-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]cyclohexanesulfonamide
SMILESO=S(=O)(NCCn1ccnc1-c1ncccn1)C1CCCCC1
InChIInChI=1S/C15H21N5O2S/c21-23(22,13-5-2-1-3-6-13)19-10-12-20-11-9-18-15(20)14-16-7-4-8-17-14/h4,7-9,11,13,19H,1-3,5-6,10,12H2
InChIKeyVPRULCKSJBXUGM-UHFFFAOYSA-N
MW335.43 g/mol
LogP1.59
Rot. Bonds6

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

N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]cyclohexanesulfonamide (PubChem CID 90588988) has the molecular formula C15H21N5O2S and a molecular weight of 335.43 g/mol. Its IUPAC name is N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]cyclohexanesulfonamide.

Molecular Properties

Compound NameN-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]cyclohexanesulfonamide
PubChem CID90588988
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC NameN-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]cyclohexanesulfonamide
SMILESO=S(=O)(NCCn1ccnc1-c1ncccn1)C1CCCCC1
InChIInChI=1S/C15H21N5O2S/c21-23(22,13-5-2-1-3-6-13)19-10-12-20-11-9-18-15(20)14-16-7-4-8-17-14/h4,7-9,11,13,19H,1-3,5-6,10,12H2
InChIKeyVPRULCKSJBXUGM-UHFFFAOYSA-N
XLogP1.59
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.59
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]cyclohexanesulfonamide?
The IUPAC name of N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]cyclohexanesulfonamide (CID 90588988) is N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]cyclohexanesulfonamide.
What is the SMILES notation for N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]cyclohexanesulfonamide?
The canonical SMILES for N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]cyclohexanesulfonamide is O=S(=O)(NCCn1ccnc1-c1ncccn1)C1CCCCC1.
What is the InChIKey of N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]cyclohexanesulfonamide?
The InChIKey is VPRULCKSJBXUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2S/c21-23(22,13-5-2-1-3-6-13)19-10-12-20-11-9-18-15(20)14-16-7-4-8-17-14/h4,7-9,11,13,19H,1-3,5-6,10,12H2.
What are the key properties of N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]cyclohexanesulfonamide?
N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]cyclohexanesulfonamide has a molecular weight of 335.43 g/mol, XLogP of 1.59, 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]cyclohexanesulfonamide is sourced from PubChem (CID 90588988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).