4-amino-N-cyclohexyl-1,3-dimethyl-2,6-dioxopyrimidine-5-sulfonamide

C12H20N4O4S — CID 7197654

IUPAC4-amino-N-cyclohexyl-1,3-dimethyl-2,6-dioxopyrimidine-5-sulfonamide
SMILESCn1c(N)c(S(=O)(=O)NC2CCCCC2)c(=O)n(C)c1=O
InChIInChI=1S/C12H20N4O4S/c1-15-10(13)9(11(17)16(2)12(15)18)21(19,20)14-8-6-4-3-5-7-8/h8,14H,3-7,13H2,1-2H3
InChIKeyZHMJNPZLALWITE-UHFFFAOYSA-N
MW316.38 g/mol
LogP-0.72
Rot. Bonds3

About 4-amino-N-cyclohexyl-1,3-dimethyl-2,6-dioxopyrimidine-5-sulfonamide

4-amino-N-cyclohexyl-1,3-dimethyl-2,6-dioxopyrimidine-5-sulfonamide (PubChem CID 7197654) has the molecular formula C12H20N4O4S and a molecular weight of 316.38 g/mol. Its IUPAC name is 4-amino-N-cyclohexyl-1,3-dimethyl-2,6-dioxopyrimidine-5-sulfonamide.

Molecular Properties

Compound Name4-amino-N-cyclohexyl-1,3-dimethyl-2,6-dioxopyrimidine-5-sulfonamide
PubChem CID7197654
Molecular FormulaC12H20N4O4S
Molecular Weight316.38 g/mol
Exact Mass316.12
IUPAC Name4-amino-N-cyclohexyl-1,3-dimethyl-2,6-dioxopyrimidine-5-sulfonamide
SMILESCn1c(N)c(S(=O)(=O)NC2CCCCC2)c(=O)n(C)c1=O
InChIInChI=1S/C12H20N4O4S/c1-15-10(13)9(11(17)16(2)12(15)18)21(19,20)14-8-6-4-3-5-7-8/h8,14H,3-7,13H2,1-2H3
InChIKeyZHMJNPZLALWITE-UHFFFAOYSA-N
XLogP-0.72
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 ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclohexyl-1,3-dimethyl-2,6-dioxopyrimidine-5-sulfonamide?
The IUPAC name of 4-amino-N-cyclohexyl-1,3-dimethyl-2,6-dioxopyrimidine-5-sulfonamide (CID 7197654) is 4-amino-N-cyclohexyl-1,3-dimethyl-2,6-dioxopyrimidine-5-sulfonamide.
What is the SMILES notation for 4-amino-N-cyclohexyl-1,3-dimethyl-2,6-dioxopyrimidine-5-sulfonamide?
The canonical SMILES for 4-amino-N-cyclohexyl-1,3-dimethyl-2,6-dioxopyrimidine-5-sulfonamide is Cn1c(N)c(S(=O)(=O)NC2CCCCC2)c(=O)n(C)c1=O.
What is the InChIKey of 4-amino-N-cyclohexyl-1,3-dimethyl-2,6-dioxopyrimidine-5-sulfonamide?
The InChIKey is ZHMJNPZLALWITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O4S/c1-15-10(13)9(11(17)16(2)12(15)18)21(19,20)14-8-6-4-3-5-7-8/h8,14H,3-7,13H2,1-2H3.
What are the key properties of 4-amino-N-cyclohexyl-1,3-dimethyl-2,6-dioxopyrimidine-5-sulfonamide?
4-amino-N-cyclohexyl-1,3-dimethyl-2,6-dioxopyrimidine-5-sulfonamide has a molecular weight of 316.38 g/mol, XLogP of -0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclohexyl-1,3-dimethyl-2,6-dioxopyrimidine-5-sulfonamide is sourced from PubChem (CID 7197654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).