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

C12H20N4O4S — CID 43653477

IUPACN-(4-aminocyclohexyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
SMILESCn1cc(S(=O)(=O)NC2CCC(N)CC2)c(=O)n(C)c1=O
InChIInChI=1S/C12H20N4O4S/c1-15-7-10(11(17)16(2)12(15)18)21(19,20)14-9-5-3-8(13)4-6-9/h7-9,14H,3-6,13H2,1-2H3
InChIKeyGGNJBKMAOQCYCU-UHFFFAOYSA-N
MW316.38 g/mol
LogP-1.37
Rot. Bonds3

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

N-(4-aminocyclohexyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide (PubChem CID 43653477) has the molecular formula C12H20N4O4S and a molecular weight of 316.38 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
PubChem CID43653477
Molecular FormulaC12H20N4O4S
Molecular Weight316.38 g/mol
Exact Mass316.12
IUPAC NameN-(4-aminocyclohexyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
SMILESCn1cc(S(=O)(=O)NC2CCC(N)CC2)c(=O)n(C)c1=O
InChIInChI=1S/C12H20N4O4S/c1-15-7-10(11(17)16(2)12(15)18)21(19,20)14-9-5-3-8(13)4-6-9/h7-9,14H,3-6,13H2,1-2H3
InChIKeyGGNJBKMAOQCYCU-UHFFFAOYSA-N
XLogP-1.37
TPSA116.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 5-1.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(4-aminocyclohexyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopentyl-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamide
CID 7196320
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-cycloheptyl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 7196415
N-cyclohexyl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 7475135
N-cyclohexyl-1,3,4-trimethyl-2,6-dioxopyrimidine-5-sulfonamide
CID 7475171
1,3-dimethyl-5-((2-methylpiperidin-1-yl)sulfonyl)pyrimidine-2,4(1H,3H)-dione
CID 16195025
4-amino-N-cyclohexyl-1,3-dimethyl-2,6-dioxopyrimidine-5-sulfonamide
CID 7197654
2,4-dioxo-N-pentyl-1H-pyrimidine-5-sulfonamide
CID 21048641
1-Hexyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamide
CID 81339871
1,3-dimethyl-5-[(2R)-2-methylpiperidin-1-yl]sulfonylpyrimidine-2,4-dione
CID 7196331
1,3-dimethyl-5-[(2S)-2-methylpiperidin-1-yl]sulfonylpyrimidine-2,4-dione
CID 7196334

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The IUPAC name of N-(4-aminocyclohexyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide (CID 43653477) is N-(4-aminocyclohexyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The canonical SMILES for N-(4-aminocyclohexyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide is Cn1cc(S(=O)(=O)NC2CCC(N)CC2)c(=O)n(C)c1=O.
What is the InChIKey of N-(4-aminocyclohexyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The InChIKey is GGNJBKMAOQCYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O4S/c1-15-7-10(11(17)16(2)12(15)18)21(19,20)14-9-5-3-8(13)4-6-9/h7-9,14H,3-6,13H2,1-2H3.
What are the key properties of N-(4-aminocyclohexyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
N-(4-aminocyclohexyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide has a molecular weight of 316.38 g/mol, XLogP of -1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide is sourced from PubChem (CID 43653477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).