2-[4-[[benzyl(methyl)sulfamoyl]amino]cyclohexyl]sulfanylpyrimidine

C18H24N4O2S2 — CID 175640501

IUPAC2-[4-[[benzyl(methyl)sulfamoyl]amino]cyclohexyl]sulfanylpyrimidine
SMILESCN(Cc1ccccc1)S(=O)(=O)NC1CCC(Sc2ncccn2)CC1
InChIInChI=1S/C18H24N4O2S2/c1-22(14-15-6-3-2-4-7-15)26(23,24)21-16-8-10-17(11-9-16)25-18-19-12-5-13-20-18/h2-7,12-13,16-17,21H,8-11,14H2,1H3
InChIKeyZTPGUHNCQWFBEV-UHFFFAOYSA-N
MW392.55 g/mol
LogP2.85
Rot. Bonds7

About 2-[4-[[benzyl(methyl)sulfamoyl]amino]cyclohexyl]sulfanylpyrimidine

2-[4-[[benzyl(methyl)sulfamoyl]amino]cyclohexyl]sulfanylpyrimidine (PubChem CID 175640501) has the molecular formula C18H24N4O2S2 and a molecular weight of 392.55 g/mol. Its IUPAC name is 2-[4-[[benzyl(methyl)sulfamoyl]amino]cyclohexyl]sulfanylpyrimidine.

Molecular Properties

Compound Name2-[4-[[benzyl(methyl)sulfamoyl]amino]cyclohexyl]sulfanylpyrimidine
PubChem CID175640501
Molecular FormulaC18H24N4O2S2
Molecular Weight392.55 g/mol
Exact Mass392.13
IUPAC Name2-[4-[[benzyl(methyl)sulfamoyl]amino]cyclohexyl]sulfanylpyrimidine
SMILESCN(Cc1ccccc1)S(=O)(=O)NC1CCC(Sc2ncccn2)CC1
InChIInChI=1S/C18H24N4O2S2/c1-22(14-15-6-3-2-4-7-15)26(23,24)21-16-8-10-17(11-9-16)25-18-19-12-5-13-20-18/h2-7,12-13,16-17,21H,8-11,14H2,1H3
InChIKeyZTPGUHNCQWFBEV-UHFFFAOYSA-N
XLogP2.85
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[methyl-[[4-(methylamino)cyclohexyl]sulfamoyl]amino]methylbenzene
CID 79118112
[(3,3-dimethylcyclopentyl)sulfamoyl-methylamino]methylbenzene
CID 115881162
1-cyano-3-[[cyclopropylsulfamoyl(methyl)amino]methyl]benzene
CID 113424588
[(2-aminocyclopentyl)sulfamoyl-methylamino]methylbenzene
CID 55167989
[(2-aminocyclohexyl)sulfamoyl-methylamino]methylbenzene
CID 61037886
4-[[cyclopropylsulfamoyl(methyl)amino]methyl]-1H-pyrazole
CID 114810129
3-[[cyclopropylsulfamoyl(methyl)amino]methyl]benzenecarbothioamide
CID 114808337
[[2-(hydroxymethyl)cyclopentyl]sulfamoyl-methylamino]methylbenzene
CID 103835998
N-[(1R,3R)-3-[[benzyl(methyl)sulfamoyl]amino]cyclohexyl]-2H-triazole-4-carboxamide
CID 146039350
benzyl(cyclohexylsulfamoyl)carbamic acid
CID 66859599
N-benzyl-N-methylethanamine;cyclohexylsulfamic acid
CID 173258331
N-benzyl-1-[4-[(cyclopropylamino)methyl]phenyl]-N-methylmethanesulfonamide
CID 113241813

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[benzyl(methyl)sulfamoyl]amino]cyclohexyl]sulfanylpyrimidine?
The IUPAC name of 2-[4-[[benzyl(methyl)sulfamoyl]amino]cyclohexyl]sulfanylpyrimidine (CID 175640501) is 2-[4-[[benzyl(methyl)sulfamoyl]amino]cyclohexyl]sulfanylpyrimidine.
What is the SMILES notation for 2-[4-[[benzyl(methyl)sulfamoyl]amino]cyclohexyl]sulfanylpyrimidine?
The canonical SMILES for 2-[4-[[benzyl(methyl)sulfamoyl]amino]cyclohexyl]sulfanylpyrimidine is CN(Cc1ccccc1)S(=O)(=O)NC1CCC(Sc2ncccn2)CC1.
What is the InChIKey of 2-[4-[[benzyl(methyl)sulfamoyl]amino]cyclohexyl]sulfanylpyrimidine?
The InChIKey is ZTPGUHNCQWFBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S2/c1-22(14-15-6-3-2-4-7-15)26(23,24)21-16-8-10-17(11-9-16)25-18-19-12-5-13-20-18/h2-7,12-13,16-17,21H,8-11,14H2,1H3.
What are the key properties of 2-[4-[[benzyl(methyl)sulfamoyl]amino]cyclohexyl]sulfanylpyrimidine?
2-[4-[[benzyl(methyl)sulfamoyl]amino]cyclohexyl]sulfanylpyrimidine has a molecular weight of 392.55 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[benzyl(methyl)sulfamoyl]amino]cyclohexyl]sulfanylpyrimidine is sourced from PubChem (CID 175640501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).