3-(2,4,6-trioxo-5-propan-2-yl-1,3-diazinan-1-yl)propane-1-sulfonamide

C10H17N3O5S — CID 112599705

IUPAC3-(2,4,6-trioxo-5-propan-2-yl-1,3-diazinan-1-yl)propane-1-sulfonamide
SMILESCC(C)C1C(=O)NC(=O)N(CCCS(N)(=O)=O)C1=O
InChIInChI=1S/C10H17N3O5S/c1-6(2)7-8(14)12-10(16)13(9(7)15)4-3-5-19(11,17)18/h6-7H,3-5H2,1-2H3,(H2,11,17,18)(H,12,14,16)
InChIKeyDLQBSUNCBUJRQR-UHFFFAOYSA-N
MW291.33 g/mol
LogP-0.98
Rot. Bonds5

About 3-(2,4,6-trioxo-5-propan-2-yl-1,3-diazinan-1-yl)propane-1-sulfonamide

3-(2,4,6-trioxo-5-propan-2-yl-1,3-diazinan-1-yl)propane-1-sulfonamide (PubChem CID 112599705) has the molecular formula C10H17N3O5S and a molecular weight of 291.33 g/mol. Its IUPAC name is 3-(2,4,6-trioxo-5-propan-2-yl-1,3-diazinan-1-yl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-(2,4,6-trioxo-5-propan-2-yl-1,3-diazinan-1-yl)propane-1-sulfonamide
PubChem CID112599705
Molecular FormulaC10H17N3O5S
Molecular Weight291.33 g/mol
Exact Mass291.09
IUPAC Name3-(2,4,6-trioxo-5-propan-2-yl-1,3-diazinan-1-yl)propane-1-sulfonamide
SMILESCC(C)C1C(=O)NC(=O)N(CCCS(N)(=O)=O)C1=O
InChIInChI=1S/C10H17N3O5S/c1-6(2)7-8(14)12-10(16)13(9(7)15)4-3-5-19(11,17)18/h6-7H,3-5H2,1-2H3,(H2,11,17,18)(H,12,14,16)
InChIKeyDLQBSUNCBUJRQR-UHFFFAOYSA-N
XLogP-0.98
TPSA126.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

5-propan-2-yl-1-(3-pyrrolidin-1-ylpropyl)-1,3-diazinane-2,4,6-trione
CID 115948114
N-[2-(2,4,6-trioxo-5-propan-2-yl-1,3-diazinan-1-yl)ethyl]acetamide
CID 112599352
N-[2-methyl-1-(2,4,6-trioxo-5-propan-2-yl-1,3-diazinan-1-yl)propan-2-yl]methanesulfonamide
CID 115948315
1-[2-[cyclopentyl(methyl)amino]ethyl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione
CID 115948244
1-[(4-fluorophenyl)methyl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione
CID 115945917
1-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione
CID 115948061
1-[(5-oxopyrrolidin-2-yl)methyl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione
CID 112601050
1-hexan-2-yl-5-propan-2-yl-1,3-diazinane-2,4,6-trione
CID 112600366
1-(4-methylpentan-2-yl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione
CID 112599235
1-[(3-ethyl-2-pyridinyl)methyl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione
CID 115949033
1-butyl-5-[(1-butyl-2,4,6-trioxo-1,3-diazinan-5-yl)-pyridin-3-ylmethyl]-1,3-diazinane-2,4,6-trione
CID 10939426
3-(3,5,5-trimethyl-2,4-dioxoimidazolidin-1-yl)propane-1-sulfonamide
CID 58995146

Frequently Asked Questions

What is the IUPAC name of 3-(2,4,6-trioxo-5-propan-2-yl-1,3-diazinan-1-yl)propane-1-sulfonamide?
The IUPAC name of 3-(2,4,6-trioxo-5-propan-2-yl-1,3-diazinan-1-yl)propane-1-sulfonamide (CID 112599705) is 3-(2,4,6-trioxo-5-propan-2-yl-1,3-diazinan-1-yl)propane-1-sulfonamide.
What is the SMILES notation for 3-(2,4,6-trioxo-5-propan-2-yl-1,3-diazinan-1-yl)propane-1-sulfonamide?
The canonical SMILES for 3-(2,4,6-trioxo-5-propan-2-yl-1,3-diazinan-1-yl)propane-1-sulfonamide is CC(C)C1C(=O)NC(=O)N(CCCS(N)(=O)=O)C1=O.
What is the InChIKey of 3-(2,4,6-trioxo-5-propan-2-yl-1,3-diazinan-1-yl)propane-1-sulfonamide?
The InChIKey is DLQBSUNCBUJRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O5S/c1-6(2)7-8(14)12-10(16)13(9(7)15)4-3-5-19(11,17)18/h6-7H,3-5H2,1-2H3,(H2,11,17,18)(H,12,14,16).
What are the key properties of 3-(2,4,6-trioxo-5-propan-2-yl-1,3-diazinan-1-yl)propane-1-sulfonamide?
3-(2,4,6-trioxo-5-propan-2-yl-1,3-diazinan-1-yl)propane-1-sulfonamide has a molecular weight of 291.33 g/mol, XLogP of -0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4,6-trioxo-5-propan-2-yl-1,3-diazinan-1-yl)propane-1-sulfonamide is sourced from PubChem (CID 112599705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).