N-cyclohexyl-4-[(2R)-1-(dimethylsulfamoyl)piperidin-2-yl]-2-methylpyrimidine-5-carboxamide

C19H31N5O3S — CID 92640403

IUPACN-cyclohexyl-4-[(2R)-1-(dimethylsulfamoyl)piperidin-2-yl]-2-methylpyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NC2CCCCC2)c([C@H]2CCCCN2S(=O)(=O)N(C)C)n1
InChIInChI=1S/C19H31N5O3S/c1-14-20-13-16(19(25)22-15-9-5-4-6-10-15)18(21-14)17-11-7-8-12-24(17)28(26,27)23(2)3/h13,15,17H,4-12H2,1-3H3,(H,22,25)/t17-/m1/s1
InChIKeyPIKGOVZJYNBYKT-QGZVFWFLSA-N
MW409.56 g/mol
LogP2.18
Rot. Bonds5

About N-cyclohexyl-4-[(2R)-1-(dimethylsulfamoyl)piperidin-2-yl]-2-methylpyrimidine-5-carboxamide

N-cyclohexyl-4-[(2R)-1-(dimethylsulfamoyl)piperidin-2-yl]-2-methylpyrimidine-5-carboxamide (PubChem CID 92640403) has the molecular formula C19H31N5O3S and a molecular weight of 409.56 g/mol. Its IUPAC name is N-cyclohexyl-4-[(2R)-1-(dimethylsulfamoyl)piperidin-2-yl]-2-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[(2R)-1-(dimethylsulfamoyl)piperidin-2-yl]-2-methylpyrimidine-5-carboxamide
PubChem CID92640403
Molecular FormulaC19H31N5O3S
Molecular Weight409.56 g/mol
Exact Mass409.21
IUPAC NameN-cyclohexyl-4-[(2R)-1-(dimethylsulfamoyl)piperidin-2-yl]-2-methylpyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NC2CCCCC2)c([C@H]2CCCCN2S(=O)(=O)N(C)C)n1
InChIInChI=1S/C19H31N5O3S/c1-14-20-13-16(19(25)22-15-9-5-4-6-10-15)18(21-14)17-11-7-8-12-24(17)28(26,27)23(2)3/h13,15,17H,4-12H2,1-3H3,(H,22,25)/t17-/m1/s1
InChIKeyPIKGOVZJYNBYKT-QGZVFWFLSA-N
XLogP2.18
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.56
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-4-[1-(dimethylsulfamoyl)piperidin-2-yl]-2-methylpyrimidine-5-carboxamide
CID 110085045
4-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-cyclohexyl-2-methylpyrimidine-5-carboxamide
CID 124959856
N-cyclohexyl-4-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-2-yl]-2-methylpyrimidine-5-carboxamide
CID 110085066
N-cyclooctyl-2,4-dimethylpyrimidine-5-carboxamide
CID 66877554
N-cyclopropyl-2-methyl-4-[1-(3-methyl-1-propylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]pyrimidine-5-carboxamide
CID 110085104
N-cyclohexyl-2-methyl-4-[1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-2-yl]pyrimidine-5-carboxamide
CID 110248299
4-[1-(3-cyclopentylpropanoyl)pyrrolidin-2-yl]-N-cyclopropyl-2-methylpyrimidine-5-carboxamide
CID 110085100
(2S)-N,N-diethyl-2-[2-methyl-5-(morpholine-4-carbonyl)pyrimidin-4-yl]piperidine-1-sulfonamide
CID 92640567
N-benzyl-2-methyl-4-[(2R)-1-pyrrolidin-1-ylsulfonylpiperidin-2-yl]pyrimidine-5-carboxamide
CID 92640601
N-cyclohexyl-4-[(2R)-1-[3-(4-fluorophenyl)propanoyl]pyrrolidin-2-yl]-2-methylpyrimidine-5-carboxamide
CID 92640451
4-[1-(1-benzofuran-2-carbonyl)pyrrolidin-2-yl]-N-cyclohexyl-2-methylpyrimidine-5-carboxamide
CID 110085080
1-[4-[(2R)-1-cyclopentylsulfonylpyrrolidin-2-yl]-2-methylpyrimidin-5-yl]-N,N-dimethylmethanamine
CID 124958910

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[(2R)-1-(dimethylsulfamoyl)piperidin-2-yl]-2-methylpyrimidine-5-carboxamide?
The IUPAC name of N-cyclohexyl-4-[(2R)-1-(dimethylsulfamoyl)piperidin-2-yl]-2-methylpyrimidine-5-carboxamide (CID 92640403) is N-cyclohexyl-4-[(2R)-1-(dimethylsulfamoyl)piperidin-2-yl]-2-methylpyrimidine-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-[(2R)-1-(dimethylsulfamoyl)piperidin-2-yl]-2-methylpyrimidine-5-carboxamide?
The canonical SMILES for N-cyclohexyl-4-[(2R)-1-(dimethylsulfamoyl)piperidin-2-yl]-2-methylpyrimidine-5-carboxamide is Cc1ncc(C(=O)NC2CCCCC2)c([C@H]2CCCCN2S(=O)(=O)N(C)C)n1.
What is the InChIKey of N-cyclohexyl-4-[(2R)-1-(dimethylsulfamoyl)piperidin-2-yl]-2-methylpyrimidine-5-carboxamide?
The InChIKey is PIKGOVZJYNBYKT-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H31N5O3S/c1-14-20-13-16(19(25)22-15-9-5-4-6-10-15)18(21-14)17-11-7-8-12-24(17)28(26,27)23(2)3/h13,15,17H,4-12H2,1-3H3,(H,22,25)/t17-/m1/s1.
What are the key properties of N-cyclohexyl-4-[(2R)-1-(dimethylsulfamoyl)piperidin-2-yl]-2-methylpyrimidine-5-carboxamide?
N-cyclohexyl-4-[(2R)-1-(dimethylsulfamoyl)piperidin-2-yl]-2-methylpyrimidine-5-carboxamide has a molecular weight of 409.56 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[(2R)-1-(dimethylsulfamoyl)piperidin-2-yl]-2-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 92640403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).