N-cyclohexyl-N-ethyl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide

C14H23N3O4S — CID 5310304

IUPACN-cyclohexyl-N-ethyl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
SMILESCCN(C1CCCCC1)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C14H23N3O4S/c1-4-17(11-8-6-5-7-9-11)22(20,21)12-10-15(2)14(19)16(3)13(12)18/h10-11H,4-9H2,1-3H3
InChIKeyAKWQOYCJFYESAA-UHFFFAOYSA-N
MW329.42 g/mol
LogP0.43
Rot. Bonds4

About N-cyclohexyl-N-ethyl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide

N-cyclohexyl-N-ethyl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide (PubChem CID 5310304) has the molecular formula C14H23N3O4S and a molecular weight of 329.42 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
PubChem CID5310304
Molecular FormulaC14H23N3O4S
Molecular Weight329.42 g/mol
Exact Mass329.14
IUPAC NameN-cyclohexyl-N-ethyl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
SMILESCCN(C1CCCCC1)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C14H23N3O4S/c1-4-17(11-8-6-5-7-9-11)22(20,21)12-10-15(2)14(19)16(3)13(12)18/h10-11H,4-9H2,1-3H3
InChIKeyAKWQOYCJFYESAA-UHFFFAOYSA-N
XLogP0.43
TPSA81.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethyl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The IUPAC name of N-cyclohexyl-N-ethyl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide (CID 5310304) is N-cyclohexyl-N-ethyl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide.
What is the SMILES notation for N-cyclohexyl-N-ethyl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The canonical SMILES for N-cyclohexyl-N-ethyl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide is CCN(C1CCCCC1)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O.
What is the InChIKey of N-cyclohexyl-N-ethyl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The InChIKey is AKWQOYCJFYESAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4S/c1-4-17(11-8-6-5-7-9-11)22(20,21)12-10-15(2)14(19)16(3)13(12)18/h10-11H,4-9H2,1-3H3.
What are the key properties of N-cyclohexyl-N-ethyl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
N-cyclohexyl-N-ethyl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide has a molecular weight of 329.42 g/mol, XLogP of 0.43, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide is sourced from PubChem (CID 5310304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).