N-(1,1-dioxothiolan-3-yl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-propylacetamide

C18H29N3O5S — CID 55356723

IUPACN-(1,1-dioxothiolan-3-yl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-propylacetamide
SMILESCCCN(C(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H29N3O5S/c1-3-10-20(14-7-11-27(25,26)13-14)15(22)12-21-16(23)18(19(2)17(21)24)8-5-4-6-9-18/h14H,3-13H2,1-2H3
InChIKeyNRZVCLUVZKHFPV-UHFFFAOYSA-N
MW399.51 g/mol
LogP1.01
Rot. Bonds5

About N-(1,1-dioxothiolan-3-yl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-propylacetamide

N-(1,1-dioxothiolan-3-yl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-propylacetamide (PubChem CID 55356723) has the molecular formula C18H29N3O5S and a molecular weight of 399.51 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-propylacetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-propylacetamide
PubChem CID55356723
Molecular FormulaC18H29N3O5S
Molecular Weight399.51 g/mol
Exact Mass399.18
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-propylacetamide
SMILESCCCN(C(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H29N3O5S/c1-3-10-20(14-7-11-27(25,26)13-14)15(22)12-21-16(23)18(19(2)17(21)24)8-5-4-6-9-18/h14H,3-13H2,1-2H3
InChIKeyNRZVCLUVZKHFPV-UHFFFAOYSA-N
XLogP1.01
TPSA95.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.51
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]-N-propylacetamide
CID 26011358
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethylacetamide
CID 7610071
2-chloro-N-(1,1-dioxothiolan-3-yl)-N-propylacetamide
CID 3813491
N-(1,1-dioxothiolan-3-yl)-N-propylacetamide
CID 3386590
N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 11923048
2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1,1-dioxothiolan-3-yl)-N-propylacetamide
CID 24562049
N-[(3S)-1,1-dioxothiolan-3-yl]-2-methoxy-N-propylacetamide
CID 95586858
N-cyclopropyl-4-[[cyclopropyl-[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]methyl]benzamide
CID 33343002
(3aS,6aR)-2-[2-[butyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid;hydrochloride
CID 120680517
N-[(3R)-1,1-dioxothiolan-3-yl]-3-(3-methyl-2-oxobenzimidazol-1-yl)-N-propylpropanamide
CID 99645243
N-(1,1-dioxothiolan-3-yl)-2-methyl-N-propylpropanamide
CID 86977043
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(3-methyl-2-oxo-4H-quinazolin-1-yl)acetamide
CID 70708192

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-propylacetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-propylacetamide (CID 55356723) is N-(1,1-dioxothiolan-3-yl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-propylacetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-propylacetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-propylacetamide is CCCN(C(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-propylacetamide?
The InChIKey is NRZVCLUVZKHFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O5S/c1-3-10-20(14-7-11-27(25,26)13-14)15(22)12-21-16(23)18(19(2)17(21)24)8-5-4-6-9-18/h14H,3-13H2,1-2H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-propylacetamide?
N-(1,1-dioxothiolan-3-yl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-propylacetamide has a molecular weight of 399.51 g/mol, XLogP of 1.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-propylacetamide is sourced from PubChem (CID 55356723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).