1,3-dimethyl-N-(2-methylcyclohexyl)-2,4-dioxopyrimidine-5-sulfonamide

C13H21N3O4S — CID 16833757

IUPAC1,3-dimethyl-N-(2-methylcyclohexyl)-2,4-dioxopyrimidine-5-sulfonamide
SMILESCC1CCCCC1NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C13H21N3O4S/c1-9-6-4-5-7-10(9)14-21(19,20)11-8-15(2)13(18)16(3)12(11)17/h8-10,14H,4-7H2,1-3H3
InChIKeyLAECGARBAOCAQY-UHFFFAOYSA-N
MW315.40 g/mol
LogP-0.06
Rot. Bonds3

About 1,3-dimethyl-N-(2-methylcyclohexyl)-2,4-dioxopyrimidine-5-sulfonamide

1,3-dimethyl-N-(2-methylcyclohexyl)-2,4-dioxopyrimidine-5-sulfonamide (PubChem CID 16833757) has the molecular formula C13H21N3O4S and a molecular weight of 315.40 g/mol. Its IUPAC name is 1,3-dimethyl-N-(2-methylcyclohexyl)-2,4-dioxopyrimidine-5-sulfonamide.

Molecular Properties

Compound Name1,3-dimethyl-N-(2-methylcyclohexyl)-2,4-dioxopyrimidine-5-sulfonamide
PubChem CID16833757
Molecular FormulaC13H21N3O4S
Molecular Weight315.40 g/mol
Exact Mass315.13
IUPAC Name1,3-dimethyl-N-(2-methylcyclohexyl)-2,4-dioxopyrimidine-5-sulfonamide
SMILESCC1CCCCC1NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C13H21N3O4S/c1-9-6-4-5-7-10(9)14-21(19,20)11-8-15(2)13(18)16(3)12(11)17/h8-10,14H,4-7H2,1-3H3
InChIKeyLAECGARBAOCAQY-UHFFFAOYSA-N
XLogP-0.06
TPSA90.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(2-methylcyclohexyl)-2,4-dioxopyrimidine-5-sulfonamide?
The IUPAC name of 1,3-dimethyl-N-(2-methylcyclohexyl)-2,4-dioxopyrimidine-5-sulfonamide (CID 16833757) is 1,3-dimethyl-N-(2-methylcyclohexyl)-2,4-dioxopyrimidine-5-sulfonamide.
What is the SMILES notation for 1,3-dimethyl-N-(2-methylcyclohexyl)-2,4-dioxopyrimidine-5-sulfonamide?
The canonical SMILES for 1,3-dimethyl-N-(2-methylcyclohexyl)-2,4-dioxopyrimidine-5-sulfonamide is CC1CCCCC1NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-N-(2-methylcyclohexyl)-2,4-dioxopyrimidine-5-sulfonamide?
The InChIKey is LAECGARBAOCAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4S/c1-9-6-4-5-7-10(9)14-21(19,20)11-8-15(2)13(18)16(3)12(11)17/h8-10,14H,4-7H2,1-3H3.
What are the key properties of 1,3-dimethyl-N-(2-methylcyclohexyl)-2,4-dioxopyrimidine-5-sulfonamide?
1,3-dimethyl-N-(2-methylcyclohexyl)-2,4-dioxopyrimidine-5-sulfonamide has a molecular weight of 315.40 g/mol, XLogP of -0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(2-methylcyclohexyl)-2,4-dioxopyrimidine-5-sulfonamide is sourced from PubChem (CID 16833757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).