N-(1,3-dicyclohexyl-2,6-dioxopyrimidin-4-yl)methanesulfonamide

C17H27N3O4S — CID 142628357

IUPACN-(1,3-dicyclohexyl-2,6-dioxopyrimidin-4-yl)methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(=O)n(C2CCCCC2)c(=O)n1C1CCCCC1
InChIInChI=1S/C17H27N3O4S/c1-25(23,24)18-15-12-16(21)20(14-10-6-3-7-11-14)17(22)19(15)13-8-4-2-5-9-13/h12-14,18H,2-11H2,1H3
InChIKeyUELPNFDAFRPYDT-UHFFFAOYSA-N
MW369.49 g/mol
LogP2.39
Rot. Bonds4

About N-(1,3-dicyclohexyl-2,6-dioxopyrimidin-4-yl)methanesulfonamide

N-(1,3-dicyclohexyl-2,6-dioxopyrimidin-4-yl)methanesulfonamide (PubChem CID 142628357) has the molecular formula C17H27N3O4S and a molecular weight of 369.49 g/mol. Its IUPAC name is N-(1,3-dicyclohexyl-2,6-dioxopyrimidin-4-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(1,3-dicyclohexyl-2,6-dioxopyrimidin-4-yl)methanesulfonamide
PubChem CID142628357
Molecular FormulaC17H27N3O4S
Molecular Weight369.49 g/mol
Exact Mass369.17
IUPAC NameN-(1,3-dicyclohexyl-2,6-dioxopyrimidin-4-yl)methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(=O)n(C2CCCCC2)c(=O)n1C1CCCCC1
InChIInChI=1S/C17H27N3O4S/c1-25(23,24)18-15-12-16(21)20(14-10-6-3-7-11-14)17(22)19(15)13-8-4-2-5-9-13/h12-14,18H,2-11H2,1H3
InChIKeyUELPNFDAFRPYDT-UHFFFAOYSA-N
XLogP2.39
TPSA90.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(methylamino)-3-(1-methylsulfonylpiperidin-4-yl)-1H-pyrimidine-2,4-dione
CID 123384501
N-cyclohexyl-N-[(2,4-dioxopyrimidin-1-yl)methyl]methanesulfonamide
CID 102374658
N-methyl-N-[1-(1-methyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)piperidin-3-yl]methanesulfonamide
CID 168056901

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dicyclohexyl-2,6-dioxopyrimidin-4-yl)methanesulfonamide?
The IUPAC name of N-(1,3-dicyclohexyl-2,6-dioxopyrimidin-4-yl)methanesulfonamide (CID 142628357) is N-(1,3-dicyclohexyl-2,6-dioxopyrimidin-4-yl)methanesulfonamide.
What is the SMILES notation for N-(1,3-dicyclohexyl-2,6-dioxopyrimidin-4-yl)methanesulfonamide?
The canonical SMILES for N-(1,3-dicyclohexyl-2,6-dioxopyrimidin-4-yl)methanesulfonamide is CS(=O)(=O)Nc1cc(=O)n(C2CCCCC2)c(=O)n1C1CCCCC1.
What is the InChIKey of N-(1,3-dicyclohexyl-2,6-dioxopyrimidin-4-yl)methanesulfonamide?
The InChIKey is UELPNFDAFRPYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4S/c1-25(23,24)18-15-12-16(21)20(14-10-6-3-7-11-14)17(22)19(15)13-8-4-2-5-9-13/h12-14,18H,2-11H2,1H3.
What are the key properties of N-(1,3-dicyclohexyl-2,6-dioxopyrimidin-4-yl)methanesulfonamide?
N-(1,3-dicyclohexyl-2,6-dioxopyrimidin-4-yl)methanesulfonamide has a molecular weight of 369.49 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dicyclohexyl-2,6-dioxopyrimidin-4-yl)methanesulfonamide is sourced from PubChem (CID 142628357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).