2-[3-[[cyclohexyl(methyl)sulfamoyl]amino]piperidin-1-yl]pyrimidine

C16H27N5O2S — CID 47065159

IUPAC2-[3-[[cyclohexyl(methyl)sulfamoyl]amino]piperidin-1-yl]pyrimidine
SMILESCN(C1CCCCC1)S(=O)(=O)NC1CCCN(c2ncccn2)C1
InChIInChI=1S/C16H27N5O2S/c1-20(15-8-3-2-4-9-15)24(22,23)19-14-7-5-12-21(13-14)16-17-10-6-11-18-16/h6,10-11,14-15,19H,2-5,7-9,12-13H2,1H3
InChIKeyZYVASZQYHLXEII-UHFFFAOYSA-N
MW353.49 g/mol
LogP1.54
Rot. Bonds5

About 2-[3-[[cyclohexyl(methyl)sulfamoyl]amino]piperidin-1-yl]pyrimidine

2-[3-[[cyclohexyl(methyl)sulfamoyl]amino]piperidin-1-yl]pyrimidine (PubChem CID 47065159) has the molecular formula C16H27N5O2S and a molecular weight of 353.49 g/mol. Its IUPAC name is 2-[3-[[cyclohexyl(methyl)sulfamoyl]amino]piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[3-[[cyclohexyl(methyl)sulfamoyl]amino]piperidin-1-yl]pyrimidine
PubChem CID47065159
Molecular FormulaC16H27N5O2S
Molecular Weight353.49 g/mol
Exact Mass353.19
IUPAC Name2-[3-[[cyclohexyl(methyl)sulfamoyl]amino]piperidin-1-yl]pyrimidine
SMILESCN(C1CCCCC1)S(=O)(=O)NC1CCCN(c2ncccn2)C1
InChIInChI=1S/C16H27N5O2S/c1-20(15-8-3-2-4-9-15)24(22,23)19-14-7-5-12-21(13-14)16-17-10-6-11-18-16/h6,10-11,14-15,19H,2-5,7-9,12-13H2,1H3
InChIKeyZYVASZQYHLXEII-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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Related Compounds

N-cyclopentyl-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 58227127
4-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-2-amine
CID 58227165
n,n-Dimethyl-4-(pyrimidin-2-yl)piperazine-1-sulfonamide
CID 3522991
1-(Pyrimidin-2-yl)piperidin-4-amine
CID 4778233
N-(propan-2-yl)-4-(pyrimidin-2-yl)piperazine-1-carbothioamide
CID 2375700
N-cyclohexyl-4-(2-pyrimidinyl)-1-piperazinecarbothioamide
CID 2206788
4-(4-Aminopiperidin-1-yl)pyrimidin-2-amine
CID 49857012
4-(2-Pyrimidinyl)-1-piperazinebutanamine
CID 12840705
2-[4-(4-Methylcyclohexyl)piperazin-1-yl]pyrimidine
CID 784284
N-cyclohexyl-4-(2-pyrimidinyl)-1-piperazinecarboxamide
CID 2235451
N-cyclopentyl-4-(2-pyrimidinyl)-1-piperazinecarbothioamide
CID 895362
1-(Pyrimidin-2-yl)piperidin-3-amine
CID 45075105

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[cyclohexyl(methyl)sulfamoyl]amino]piperidin-1-yl]pyrimidine?
The IUPAC name of 2-[3-[[cyclohexyl(methyl)sulfamoyl]amino]piperidin-1-yl]pyrimidine (CID 47065159) is 2-[3-[[cyclohexyl(methyl)sulfamoyl]amino]piperidin-1-yl]pyrimidine.
What is the SMILES notation for 2-[3-[[cyclohexyl(methyl)sulfamoyl]amino]piperidin-1-yl]pyrimidine?
The canonical SMILES for 2-[3-[[cyclohexyl(methyl)sulfamoyl]amino]piperidin-1-yl]pyrimidine is CN(C1CCCCC1)S(=O)(=O)NC1CCCN(c2ncccn2)C1.
What is the InChIKey of 2-[3-[[cyclohexyl(methyl)sulfamoyl]amino]piperidin-1-yl]pyrimidine?
The InChIKey is ZYVASZQYHLXEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O2S/c1-20(15-8-3-2-4-9-15)24(22,23)19-14-7-5-12-21(13-14)16-17-10-6-11-18-16/h6,10-11,14-15,19H,2-5,7-9,12-13H2,1H3.
What are the key properties of 2-[3-[[cyclohexyl(methyl)sulfamoyl]amino]piperidin-1-yl]pyrimidine?
2-[3-[[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-[3-[[cyclohexyl(methyl)sulfamoyl]amino]piperidin-1-yl]pyrimidine is sourced from PubChem (CID 47065159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).