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

C12H19N3O4S — CID 7475135

IUPACN-cyclohexyl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
SMILESCn1cc(S(=O)(=O)NC2CCCCC2)c(=O)n(C)c1=O
InChIInChI=1S/C12H19N3O4S/c1-14-8-10(11(16)15(2)12(14)17)20(18,19)13-9-6-4-3-5-7-9/h8-9,13H,3-7H2,1-2H3
InChIKeyNDMRTDAHSNSXBW-UHFFFAOYSA-N
MW301.37 g/mol
LogP-0.31
Rot. Bonds3

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

N-cyclohexyl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide (PubChem CID 7475135) has the molecular formula C12H19N3O4S and a molecular weight of 301.37 g/mol. Its IUPAC name is N-cyclohexyl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
PubChem CID7475135
Molecular FormulaC12H19N3O4S
Molecular Weight301.37 g/mol
Exact Mass301.11
IUPAC NameN-cyclohexyl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
SMILESCn1cc(S(=O)(=O)NC2CCCCC2)c(=O)n(C)c1=O
InChIInChI=1S/C12H19N3O4S/c1-14-8-10(11(16)15(2)12(14)17)20(18,19)13-9-6-4-3-5-7-9/h8-9,13H,3-7H2,1-2H3
InChIKeyNDMRTDAHSNSXBW-UHFFFAOYSA-N
XLogP-0.31
TPSA90.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The IUPAC name of N-cyclohexyl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide (CID 7475135) is N-cyclohexyl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide.
What is the SMILES notation for N-cyclohexyl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The canonical SMILES for N-cyclohexyl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide is Cn1cc(S(=O)(=O)NC2CCCCC2)c(=O)n(C)c1=O.
What is the InChIKey of N-cyclohexyl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The InChIKey is NDMRTDAHSNSXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S/c1-14-8-10(11(16)15(2)12(14)17)20(18,19)13-9-6-4-3-5-7-9/h8-9,13H,3-7H2,1-2H3.
What are the key properties of N-cyclohexyl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
N-cyclohexyl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide has a molecular weight of 301.37 g/mol, XLogP of -0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide is sourced from PubChem (CID 7475135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).