N-(azetidin-3-yl)-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide

C10H16N4O4S — CID 66187107

IUPACN-(azetidin-3-yl)-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide
SMILESCN(C1CNC1)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C10H16N4O4S/c1-12-6-8(9(15)13(2)10(12)16)19(17,18)14(3)7-4-11-5-7/h6-7,11H,4-5H2,1-3H3
InChIKeyKMWOEEXHPBKHGH-UHFFFAOYSA-N
MW288.33 g/mol
LogP-2.32
Rot. Bonds3

About N-(azetidin-3-yl)-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide

N-(azetidin-3-yl)-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide (PubChem CID 66187107) has the molecular formula C10H16N4O4S and a molecular weight of 288.33 g/mol. Its IUPAC name is N-(azetidin-3-yl)-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide
PubChem CID66187107
Molecular FormulaC10H16N4O4S
Molecular Weight288.33 g/mol
Exact Mass288.09
IUPAC NameN-(azetidin-3-yl)-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide
SMILESCN(C1CNC1)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C10H16N4O4S/c1-12-6-8(9(15)13(2)10(12)16)19(17,18)14(3)7-4-11-5-7/h6-7,11H,4-5H2,1-3H3
InChIKeyKMWOEEXHPBKHGH-UHFFFAOYSA-N
XLogP-2.32
TPSA93.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 5-2.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The IUPAC name of N-(azetidin-3-yl)-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide (CID 66187107) is N-(azetidin-3-yl)-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide.
What is the SMILES notation for N-(azetidin-3-yl)-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The canonical SMILES for N-(azetidin-3-yl)-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide is CN(C1CNC1)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O.
What is the InChIKey of N-(azetidin-3-yl)-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The InChIKey is KMWOEEXHPBKHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O4S/c1-12-6-8(9(15)13(2)10(12)16)19(17,18)14(3)7-4-11-5-7/h6-7,11H,4-5H2,1-3H3.
What are the key properties of N-(azetidin-3-yl)-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide?
N-(azetidin-3-yl)-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide has a molecular weight of 288.33 g/mol, XLogP of -2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide is sourced from PubChem (CID 66187107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).