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

C10H14N4O4S — CID 7196409

IUPACN-(2-cyanoethyl)-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide
SMILESCN(CCC#N)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C10H14N4O4S/c1-12-7-8(9(15)14(3)10(12)16)19(17,18)13(2)6-4-5-11/h7H,4,6H2,1-3H3
InChIKeyCZMRLELKPFASOT-UHFFFAOYSA-N
MW286.31 g/mol
LogP-1.38
Rot. Bonds4

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

N-(2-cyanoethyl)-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide (PubChem CID 7196409) has the molecular formula C10H14N4O4S and a molecular weight of 286.31 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide
PubChem CID7196409
Molecular FormulaC10H14N4O4S
Molecular Weight286.31 g/mol
Exact Mass286.07
IUPAC NameN-(2-cyanoethyl)-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide
SMILESCN(CCC#N)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C10H14N4O4S/c1-12-7-8(9(15)14(3)10(12)16)19(17,18)13(2)6-4-5-11/h7H,4,6H2,1-3H3
InChIKeyCZMRLELKPFASOT-UHFFFAOYSA-N
XLogP-1.38
TPSA105.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 5-1.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The IUPAC name of N-(2-cyanoethyl)-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide (CID 7196409) is N-(2-cyanoethyl)-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide.
What is the SMILES notation for N-(2-cyanoethyl)-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The canonical SMILES for N-(2-cyanoethyl)-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide is CN(CCC#N)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O.
What is the InChIKey of N-(2-cyanoethyl)-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The InChIKey is CZMRLELKPFASOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O4S/c1-12-7-8(9(15)14(3)10(12)16)19(17,18)13(2)6-4-5-11/h7H,4,6H2,1-3H3.
What are the key properties of N-(2-cyanoethyl)-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide?
N-(2-cyanoethyl)-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide has a molecular weight of 286.31 g/mol, XLogP of -1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide is sourced from PubChem (CID 7196409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).