N-[4-(hydroxymethyl)oxan-4-yl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide

C10H15N3O6S — CID 106298863

IUPACN-[4-(hydroxymethyl)oxan-4-yl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide
SMILESO=c1[nH]cc(S(=O)(=O)NC2(CO)CCOCC2)c(=O)[nH]1
InChIInChI=1S/C10H15N3O6S/c14-6-10(1-3-19-4-2-10)13-20(17,18)7-5-11-9(16)12-8(7)15/h5,13-14H,1-4,6H2,(H2,11,12,15,16)
InChIKeyHLIUWCDTRXBLQS-UHFFFAOYSA-N
MW305.31 g/mol
LogP-2.12
Rot. Bonds4

About N-[4-(hydroxymethyl)oxan-4-yl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide

N-[4-(hydroxymethyl)oxan-4-yl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide (PubChem CID 106298863) has the molecular formula C10H15N3O6S and a molecular weight of 305.31 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)oxan-4-yl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)oxan-4-yl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide
PubChem CID106298863
Molecular FormulaC10H15N3O6S
Molecular Weight305.31 g/mol
Exact Mass305.07
IUPAC NameN-[4-(hydroxymethyl)oxan-4-yl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide
SMILESO=c1[nH]cc(S(=O)(=O)NC2(CO)CCOCC2)c(=O)[nH]1
InChIInChI=1S/C10H15N3O6S/c14-6-10(1-3-19-4-2-10)13-20(17,18)7-5-11-9(16)12-8(7)15/h5,13-14H,1-4,6H2,(H2,11,12,15,16)
InChIKeyHLIUWCDTRXBLQS-UHFFFAOYSA-N
XLogP-2.12
TPSA141.35 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 5-2.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(hydroxymethyl)oxan-4-yl]-2,5-dimethylthiophene-3-sulfonamide
CID 106298861
3-chloro-N-[4-(hydroxymethyl)oxan-4-yl]-2-methylbenzenesulfonamide
CID 106299153
2,5-dibromo-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide
CID 106299191
1-[[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid
CID 115445419
5-amino-2-fluoro-N-[4-(hydroxymethyl)oxan-4-yl]-4-methylbenzenesulfonamide
CID 106296774
5-bromo-4-[[4-(hydroxymethyl)oxan-4-yl]sulfamoyl]furan-2-carboxylic acid
CID 106297009
5-bromo-N-[4-(hydroxymethyl)oxan-4-yl]-2-methoxybenzenesulfonamide
CID 106299135
2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-2-methylpropanoic acid
CID 61262292
4-acetyl-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide
CID 106299081
4-amino-2,6-dichloro-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide
CID 106296782
N-(azetidin-3-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide;hydrochloride
CID 121208905
5-bromo-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-3-sulfonamide
CID 106299114

Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxymethyl)oxan-4-yl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The IUPAC name of N-[4-(hydroxymethyl)oxan-4-yl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide (CID 106298863) is N-[4-(hydroxymethyl)oxan-4-yl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide.
What is the SMILES notation for N-[4-(hydroxymethyl)oxan-4-yl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The canonical SMILES for N-[4-(hydroxymethyl)oxan-4-yl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide is O=c1[nH]cc(S(=O)(=O)NC2(CO)CCOCC2)c(=O)[nH]1.
What is the InChIKey of N-[4-(hydroxymethyl)oxan-4-yl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The InChIKey is HLIUWCDTRXBLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O6S/c14-6-10(1-3-19-4-2-10)13-20(17,18)7-5-11-9(16)12-8(7)15/h5,13-14H,1-4,6H2,(H2,11,12,15,16).
What are the key properties of N-[4-(hydroxymethyl)oxan-4-yl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
N-[4-(hydroxymethyl)oxan-4-yl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide has a molecular weight of 305.31 g/mol, XLogP of -2.12, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxymethyl)oxan-4-yl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide is sourced from PubChem (CID 106298863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).