2-[4-[[cyclohexyl(methyl)sulfamoyl]amino]piperidin-1-yl]pyrimidine

C16H27N5O2S — CID 47064852

IUPAC2-[4-[[cyclohexyl(methyl)sulfamoyl]amino]piperidin-1-yl]pyrimidine
SMILESCN(C1CCCCC1)S(=O)(=O)NC1CCN(c2ncccn2)CC1
InChIInChI=1S/C16H27N5O2S/c1-20(15-6-3-2-4-7-15)24(22,23)19-14-8-12-21(13-9-14)16-17-10-5-11-18-16/h5,10-11,14-15,19H,2-4,6-9,12-13H2,1H3
InChIKeyCUBYRGXJASGTLM-UHFFFAOYSA-N
MW353.49 g/mol
LogP1.54
Rot. Bonds5

About 2-[4-[[cyclohexyl(methyl)sulfamoyl]amino]piperidin-1-yl]pyrimidine

2-[4-[[cyclohexyl(methyl)sulfamoyl]amino]piperidin-1-yl]pyrimidine (PubChem CID 47064852) has the molecular formula C16H27N5O2S and a molecular weight of 353.49 g/mol. Its IUPAC name is 2-[4-[[cyclohexyl(methyl)sulfamoyl]amino]piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-[[cyclohexyl(methyl)sulfamoyl]amino]piperidin-1-yl]pyrimidine
PubChem CID47064852
Molecular FormulaC16H27N5O2S
Molecular Weight353.49 g/mol
Exact Mass353.19
IUPAC Name2-[4-[[cyclohexyl(methyl)sulfamoyl]amino]piperidin-1-yl]pyrimidine
SMILESCN(C1CCCCC1)S(=O)(=O)NC1CCN(c2ncccn2)CC1
InChIInChI=1S/C16H27N5O2S/c1-20(15-6-3-2-4-7-15)24(22,23)19-14-8-12-21(13-9-14)16-17-10-5-11-18-16/h5,10-11,14-15,19H,2-4,6-9,12-13H2,1H3
InChIKeyCUBYRGXJASGTLM-UHFFFAOYSA-N
XLogP1.54
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[cyclohexyl(methyl)sulfamoyl]amino]piperidin-1-yl]pyrimidine?
The IUPAC name of 2-[4-[[cyclohexyl(methyl)sulfamoyl]amino]piperidin-1-yl]pyrimidine (CID 47064852) is 2-[4-[[cyclohexyl(methyl)sulfamoyl]amino]piperidin-1-yl]pyrimidine.
What is the SMILES notation for 2-[4-[[cyclohexyl(methyl)sulfamoyl]amino]piperidin-1-yl]pyrimidine?
The canonical SMILES for 2-[4-[[cyclohexyl(methyl)sulfamoyl]amino]piperidin-1-yl]pyrimidine is CN(C1CCCCC1)S(=O)(=O)NC1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-[4-[[cyclohexyl(methyl)sulfamoyl]amino]piperidin-1-yl]pyrimidine?
The InChIKey is CUBYRGXJASGTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O2S/c1-20(15-6-3-2-4-7-15)24(22,23)19-14-8-12-21(13-9-14)16-17-10-5-11-18-16/h5,10-11,14-15,19H,2-4,6-9,12-13H2,1H3.
What are the key properties of 2-[4-[[cyclohexyl(methyl)sulfamoyl]amino]piperidin-1-yl]pyrimidine?
2-[4-[[cyclohexyl(methyl)sulfamoyl]amino]piperidin-1-yl]pyrimidine has a molecular weight of 353.49 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[cyclohexyl(methyl)sulfamoyl]amino]piperidin-1-yl]pyrimidine is sourced from PubChem (CID 47064852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).