1,3,4-trimethyl-N-(3-morpholin-4-ylpropyl)-2,6-dioxopyrimidine-5-sulfonamide

C14H24N4O5S — CID 7475178

IUPAC1,3,4-trimethyl-N-(3-morpholin-4-ylpropyl)-2,6-dioxopyrimidine-5-sulfonamide
SMILESCc1c(S(=O)(=O)NCCCN2CCOCC2)c(=O)n(C)c(=O)n1C
InChIInChI=1S/C14H24N4O5S/c1-11-12(13(19)17(3)14(20)16(11)2)24(21,22)15-5-4-6-18-7-9-23-10-8-18/h15H,4-10H2,1-3H3
InChIKeyRTIUMIZEUKXNAK-UHFFFAOYSA-N
MW360.44 g/mol
LogP-1.61
Rot. Bonds6

About 1,3,4-trimethyl-N-(3-morpholin-4-ylpropyl)-2,6-dioxopyrimidine-5-sulfonamide

1,3,4-trimethyl-N-(3-morpholin-4-ylpropyl)-2,6-dioxopyrimidine-5-sulfonamide (PubChem CID 7475178) has the molecular formula C14H24N4O5S and a molecular weight of 360.44 g/mol. Its IUPAC name is 1,3,4-trimethyl-N-(3-morpholin-4-ylpropyl)-2,6-dioxopyrimidine-5-sulfonamide.

Molecular Properties

Compound Name1,3,4-trimethyl-N-(3-morpholin-4-ylpropyl)-2,6-dioxopyrimidine-5-sulfonamide
PubChem CID7475178
Molecular FormulaC14H24N4O5S
Molecular Weight360.44 g/mol
Exact Mass360.15
IUPAC Name1,3,4-trimethyl-N-(3-morpholin-4-ylpropyl)-2,6-dioxopyrimidine-5-sulfonamide
SMILESCc1c(S(=O)(=O)NCCCN2CCOCC2)c(=O)n(C)c(=O)n1C
InChIInChI=1S/C14H24N4O5S/c1-11-12(13(19)17(3)14(20)16(11)2)24(21,22)15-5-4-6-18-7-9-23-10-8-18/h15H,4-10H2,1-3H3
InChIKeyRTIUMIZEUKXNAK-UHFFFAOYSA-N
XLogP-1.61
TPSA102.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 5-1.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3,4-trimethyl-N-(3-morpholin-4-ylpropyl)-2,6-dioxopyrimidine-5-sulfonamide?
The IUPAC name of 1,3,4-trimethyl-N-(3-morpholin-4-ylpropyl)-2,6-dioxopyrimidine-5-sulfonamide (CID 7475178) is 1,3,4-trimethyl-N-(3-morpholin-4-ylpropyl)-2,6-dioxopyrimidine-5-sulfonamide.
What is the SMILES notation for 1,3,4-trimethyl-N-(3-morpholin-4-ylpropyl)-2,6-dioxopyrimidine-5-sulfonamide?
The canonical SMILES for 1,3,4-trimethyl-N-(3-morpholin-4-ylpropyl)-2,6-dioxopyrimidine-5-sulfonamide is Cc1c(S(=O)(=O)NCCCN2CCOCC2)c(=O)n(C)c(=O)n1C.
What is the InChIKey of 1,3,4-trimethyl-N-(3-morpholin-4-ylpropyl)-2,6-dioxopyrimidine-5-sulfonamide?
The InChIKey is RTIUMIZEUKXNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O5S/c1-11-12(13(19)17(3)14(20)16(11)2)24(21,22)15-5-4-6-18-7-9-23-10-8-18/h15H,4-10H2,1-3H3.
What are the key properties of 1,3,4-trimethyl-N-(3-morpholin-4-ylpropyl)-2,6-dioxopyrimidine-5-sulfonamide?
1,3,4-trimethyl-N-(3-morpholin-4-ylpropyl)-2,6-dioxopyrimidine-5-sulfonamide has a molecular weight of 360.44 g/mol, XLogP of -1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4-trimethyl-N-(3-morpholin-4-ylpropyl)-2,6-dioxopyrimidine-5-sulfonamide is sourced from PubChem (CID 7475178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).