N-[(3S)-1,1-dioxothiolan-3-yl]-1,3-dimethyl-2,4-dioxo-N-propylpyrimidine-5-sulfonamide

C13H21N3O6S2 — CID 26528670

IUPACN-[(3S)-1,1-dioxothiolan-3-yl]-1,3-dimethyl-2,4-dioxo-N-propylpyrimidine-5-sulfonamide
SMILESCCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C13H21N3O6S2/c1-4-6-16(10-5-7-23(19,20)9-10)24(21,22)11-8-14(2)13(18)15(3)12(11)17/h8,10H,4-7,9H2,1-3H3/t10-/m0/s1
InChIKeyHVXAFPGBOSGDEW-JTQLQIEISA-N
MW379.46 g/mol
LogP-1.33
Rot. Bonds5

About N-[(3S)-1,1-dioxothiolan-3-yl]-1,3-dimethyl-2,4-dioxo-N-propylpyrimidine-5-sulfonamide

N-[(3S)-1,1-dioxothiolan-3-yl]-1,3-dimethyl-2,4-dioxo-N-propylpyrimidine-5-sulfonamide (PubChem CID 26528670) has the molecular formula C13H21N3O6S2 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[(3S)-1,1-dioxothiolan-3-yl]-1,3-dimethyl-2,4-dioxo-N-propylpyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-[(3S)-1,1-dioxothiolan-3-yl]-1,3-dimethyl-2,4-dioxo-N-propylpyrimidine-5-sulfonamide
PubChem CID26528670
Molecular FormulaC13H21N3O6S2
Molecular Weight379.46 g/mol
Exact Mass379.09
IUPAC NameN-[(3S)-1,1-dioxothiolan-3-yl]-1,3-dimethyl-2,4-dioxo-N-propylpyrimidine-5-sulfonamide
SMILESCCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C13H21N3O6S2/c1-4-6-16(10-5-7-23(19,20)9-10)24(21,22)11-8-14(2)13(18)15(3)12(11)17/h8,10H,4-7,9H2,1-3H3/t10-/m0/s1
InChIKeyHVXAFPGBOSGDEW-JTQLQIEISA-N
XLogP-1.33
TPSA115.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 5-1.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-[(3S)-1,1-dioxothiolan-3-yl]-1,3-dimethyl-2,4-dioxo-N-propylpyrimidine-5-sulfonamide with MolForge

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Related Compounds

2,5-dibromo-N-[(3S)-1,1-dioxothiolan-3-yl]-N-propylbenzenesulfonamide
CID 26942262
N-butyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2,4-dimethylbenzenesulfonamide
CID 129370557
N-butyl-N-[(3R)-1,1-dioxothiolan-3-yl]-4-methylbenzenesulfonamide
CID 7452405
(3S)-N-[(3R)-1,1-dioxothiolan-3-yl]-3-methyl-2-oxo-N-propyl-1,3-dihydroindole-5-sulfonamide
CID 9188070
N-butyl-4-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]benzenesulfonamide
CID 7275916
N-(1,1-dioxothiolan-3-yl)-4-(2-methoxyethoxy)-3-methyl-N-propylbenzenesulfonamide
CID 55639384
2-bromo-N-(1,1-dioxothiolan-3-yl)-N-ethylbenzenesulfonamide
CID 51169210
3-[butyl-[(3S)-1,1-dioxothiolan-3-yl]sulfamoyl]-4-methylbenzoic acid
CID 129360457
N-butyl-N-[(3R)-1,1-dioxothiolan-3-yl]-3,4-dimethylbenzenesulfonamide
CID 7260447
N-butyl-N-[(3S)-1,1-dioxothiolan-3-yl]-3,4-dimethylbenzenesulfonamide
CID 7260448
2,5-dibromo-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylbenzenesulfonamide
CID 129366084
N-(1,1-dioxothiolan-3-yl)-1,3-dimethyl-2,4-dioxo-N-propylpyrido[2,3-d]pyrimidine-7-carboxamide
CID 55582930

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-1,3-dimethyl-2,4-dioxo-N-propylpyrimidine-5-sulfonamide?
The IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-1,3-dimethyl-2,4-dioxo-N-propylpyrimidine-5-sulfonamide (CID 26528670) is N-[(3S)-1,1-dioxothiolan-3-yl]-1,3-dimethyl-2,4-dioxo-N-propylpyrimidine-5-sulfonamide.
What is the SMILES notation for N-[(3S)-1,1-dioxothiolan-3-yl]-1,3-dimethyl-2,4-dioxo-N-propylpyrimidine-5-sulfonamide?
The canonical SMILES for N-[(3S)-1,1-dioxothiolan-3-yl]-1,3-dimethyl-2,4-dioxo-N-propylpyrimidine-5-sulfonamide is CCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O.
What is the InChIKey of N-[(3S)-1,1-dioxothiolan-3-yl]-1,3-dimethyl-2,4-dioxo-N-propylpyrimidine-5-sulfonamide?
The InChIKey is HVXAFPGBOSGDEW-JTQLQIEISA-N. The full InChI is InChI=1S/C13H21N3O6S2/c1-4-6-16(10-5-7-23(19,20)9-10)24(21,22)11-8-14(2)13(18)15(3)12(11)17/h8,10H,4-7,9H2,1-3H3/t10-/m0/s1.
What are the key properties of N-[(3S)-1,1-dioxothiolan-3-yl]-1,3-dimethyl-2,4-dioxo-N-propylpyrimidine-5-sulfonamide?
N-[(3S)-1,1-dioxothiolan-3-yl]-1,3-dimethyl-2,4-dioxo-N-propylpyrimidine-5-sulfonamide has a molecular weight of 379.46 g/mol, XLogP of -1.33, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1,1-dioxothiolan-3-yl]-1,3-dimethyl-2,4-dioxo-N-propylpyrimidine-5-sulfonamide is sourced from PubChem (CID 26528670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).