N-(4-hydroxycyclohexyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide

C10H15N3O5S — CID 43508900

IUPACN-(4-hydroxycyclohexyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide
SMILESO=c1[nH]cc(S(=O)(=O)NC2CCC(O)CC2)c(=O)[nH]1
InChIInChI=1S/C10H15N3O5S/c14-7-3-1-6(2-4-7)13-19(17,18)8-5-11-10(16)12-9(8)15/h5-7,13-14H,1-4H2,(H2,11,12,15,16)
InChIKeyBZLMUSWFKBAIBH-UHFFFAOYSA-N
MW289.31 g/mol
LogP-1.36
Rot. Bonds3

About N-(4-hydroxycyclohexyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide

N-(4-hydroxycyclohexyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide (PubChem CID 43508900) has the molecular formula C10H15N3O5S and a molecular weight of 289.31 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide
PubChem CID43508900
Molecular FormulaC10H15N3O5S
Molecular Weight289.31 g/mol
Exact Mass289.07
IUPAC NameN-(4-hydroxycyclohexyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide
SMILESO=c1[nH]cc(S(=O)(=O)NC2CCC(O)CC2)c(=O)[nH]1
InChIInChI=1S/C10H15N3O5S/c14-7-3-1-6(2-4-7)13-19(17,18)8-5-11-10(16)12-9(8)15/h5-7,13-14H,1-4H2,(H2,11,12,15,16)
InChIKeyBZLMUSWFKBAIBH-UHFFFAOYSA-N
XLogP-1.36
TPSA132.12 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 5-1.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide (CID 43508900) is N-(4-hydroxycyclohexyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide is O=c1[nH]cc(S(=O)(=O)NC2CCC(O)CC2)c(=O)[nH]1.
What is the InChIKey of N-(4-hydroxycyclohexyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The InChIKey is BZLMUSWFKBAIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O5S/c14-7-3-1-6(2-4-7)13-19(17,18)8-5-11-10(16)12-9(8)15/h5-7,13-14H,1-4H2,(H2,11,12,15,16).
What are the key properties of N-(4-hydroxycyclohexyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
N-(4-hydroxycyclohexyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide has a molecular weight of 289.31 g/mol, XLogP of -1.36, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide is sourced from PubChem (CID 43508900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).