N-cyclohexyl-N-[(2,4-dioxopyrimidin-1-yl)methyl]methanesulfonamide

C12H19N3O4S — CID 102374658

IUPACN-cyclohexyl-N-[(2,4-dioxopyrimidin-1-yl)methyl]methanesulfonamide
SMILESCS(=O)(=O)N(Cn1ccc(=O)[nH]c1=O)C1CCCCC1
InChIInChI=1S/C12H19N3O4S/c1-20(18,19)15(10-5-3-2-4-6-10)9-14-8-7-11(16)13-12(14)17/h7-8,10H,2-6,9H2,1H3,(H,13,16,17)
InChIKeyZIRSGAUHQGZEES-UHFFFAOYSA-N
MW301.37 g/mol
LogP0.09
Rot. Bonds4

About N-cyclohexyl-N-[(2,4-dioxopyrimidin-1-yl)methyl]methanesulfonamide

N-cyclohexyl-N-[(2,4-dioxopyrimidin-1-yl)methyl]methanesulfonamide (PubChem CID 102374658) has the molecular formula C12H19N3O4S and a molecular weight of 301.37 g/mol. Its IUPAC name is N-cyclohexyl-N-[(2,4-dioxopyrimidin-1-yl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-N-[(2,4-dioxopyrimidin-1-yl)methyl]methanesulfonamide
PubChem CID102374658
Molecular FormulaC12H19N3O4S
Molecular Weight301.37 g/mol
Exact Mass301.11
IUPAC NameN-cyclohexyl-N-[(2,4-dioxopyrimidin-1-yl)methyl]methanesulfonamide
SMILESCS(=O)(=O)N(Cn1ccc(=O)[nH]c1=O)C1CCCCC1
InChIInChI=1S/C12H19N3O4S/c1-20(18,19)15(10-5-3-2-4-6-10)9-14-8-7-11(16)13-12(14)17/h7-8,10H,2-6,9H2,1H3,(H,13,16,17)
InChIKeyZIRSGAUHQGZEES-UHFFFAOYSA-N
XLogP0.09
TPSA92.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-N,1,3-trimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamide
CID 16277328
N-cyclohexyl-N-ethyl-1,3-dimethyl-2,4-dioxo-5-pyrimidinesulfonamide
CID 5310304
N-cyclohexyl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 7475135
N-(1,3-dicyclohexyl-2,6-dioxopyrimidin-4-yl)methanesulfonamide
CID 142628357
N-cyclohexyl-N-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamide
CID 21008153
N-(4-aminocyclohexyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 43653477
N-cyclohexyl-2-hydroxy-6-oxo-1,6-dihydropyrimidine-5-sulfonamide
CID 43980553
2-(2,4-dioxopyrimidin-1-yl)-N-(1-methylsulfonylpiperidin-4-yl)acetamide
CID 45808883
N-[4-(methylamino)cyclohexyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 79110308
N-(4-aminocyclohexyl)-N-ethyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 79113989
N-methyl-N-[4-(methylamino)cyclohexyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 79118134
N-(4-aminocyclohexyl)-N-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 79121893

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[(2,4-dioxopyrimidin-1-yl)methyl]methanesulfonamide?
The IUPAC name of N-cyclohexyl-N-[(2,4-dioxopyrimidin-1-yl)methyl]methanesulfonamide (CID 102374658) is N-cyclohexyl-N-[(2,4-dioxopyrimidin-1-yl)methyl]methanesulfonamide.
What is the SMILES notation for N-cyclohexyl-N-[(2,4-dioxopyrimidin-1-yl)methyl]methanesulfonamide?
The canonical SMILES for N-cyclohexyl-N-[(2,4-dioxopyrimidin-1-yl)methyl]methanesulfonamide is CS(=O)(=O)N(Cn1ccc(=O)[nH]c1=O)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-[(2,4-dioxopyrimidin-1-yl)methyl]methanesulfonamide?
The InChIKey is ZIRSGAUHQGZEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S/c1-20(18,19)15(10-5-3-2-4-6-10)9-14-8-7-11(16)13-12(14)17/h7-8,10H,2-6,9H2,1H3,(H,13,16,17).
What are the key properties of N-cyclohexyl-N-[(2,4-dioxopyrimidin-1-yl)methyl]methanesulfonamide?
N-cyclohexyl-N-[(2,4-dioxopyrimidin-1-yl)methyl]methanesulfonamide has a molecular weight of 301.37 g/mol, XLogP of 0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[(2,4-dioxopyrimidin-1-yl)methyl]methanesulfonamide is sourced from PubChem (CID 102374658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).