N-(azetidin-3-yl)-2-(1,1-dioxothiolan-3-yl)-N-propylacetamide

C12H22N2O3S — CID 66216056

IUPACN-(azetidin-3-yl)-2-(1,1-dioxothiolan-3-yl)-N-propylacetamide
SMILESCCCN(C(=O)CC1CCS(=O)(=O)C1)C1CNC1
InChIInChI=1S/C12H22N2O3S/c1-2-4-14(11-7-13-8-11)12(15)6-10-3-5-18(16,17)9-10/h10-11,13H,2-9H2,1H3
InChIKeyYJTQNQMQDSCZPA-UHFFFAOYSA-N
MW274.39 g/mol
LogP0.02
Rot. Bonds5

About N-(azetidin-3-yl)-2-(1,1-dioxothiolan-3-yl)-N-propylacetamide

N-(azetidin-3-yl)-2-(1,1-dioxothiolan-3-yl)-N-propylacetamide (PubChem CID 66216056) has the molecular formula C12H22N2O3S and a molecular weight of 274.39 g/mol. Its IUPAC name is N-(azetidin-3-yl)-2-(1,1-dioxothiolan-3-yl)-N-propylacetamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-2-(1,1-dioxothiolan-3-yl)-N-propylacetamide
PubChem CID66216056
Molecular FormulaC12H22N2O3S
Molecular Weight274.39 g/mol
Exact Mass274.14
IUPAC NameN-(azetidin-3-yl)-2-(1,1-dioxothiolan-3-yl)-N-propylacetamide
SMILESCCCN(C(=O)CC1CCS(=O)(=O)C1)C1CNC1
InChIInChI=1S/C12H22N2O3S/c1-2-4-14(11-7-13-8-11)12(15)6-10-3-5-18(16,17)9-10/h10-11,13H,2-9H2,1H3
InChIKeyYJTQNQMQDSCZPA-UHFFFAOYSA-N
XLogP0.02
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,1-dioxothiolan-3-yl)-N-piperidin-3-yl-N-propylacetamide
CID 63638478
N-(azetidin-3-yl)-2-cyclohexyl-N-propylacetamide
CID 66183532
N-cyclobutyl-2-(1,1-dioxothiolan-3-yl)-N-(3-hydroxypropyl)acetamide
CID 102867055
2-(1,1-dioxothiolan-3-yl)-N-methyl-N-piperidin-4-ylacetamide
CID 43649177
methyl 2-[[2-(1,1-dioxothiolan-3-yl)acetyl]-propylamino]acetate
CID 55006150
2-chloro-N-(1,1-dioxothiolan-3-yl)-N-propylacetamide
CID 3813491
2-(azetidin-3-yl)-N-butyl-N-cyclopropylacetamide
CID 64611798
N-(1,1-dioxothiolan-3-yl)-N-propylacetamide
CID 3386590
2-[azetidin-3-yl(propyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 66215694
N-[(3S)-1,1-dioxothiolan-3-yl]-2-methoxy-N-propylacetamide
CID 95586858
2-cyclopentyl-N-piperidin-3-yl-N-propylacetamide
CID 60805879
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 122080455

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-2-(1,1-dioxothiolan-3-yl)-N-propylacetamide?
The IUPAC name of N-(azetidin-3-yl)-2-(1,1-dioxothiolan-3-yl)-N-propylacetamide (CID 66216056) is N-(azetidin-3-yl)-2-(1,1-dioxothiolan-3-yl)-N-propylacetamide.
What is the SMILES notation for N-(azetidin-3-yl)-2-(1,1-dioxothiolan-3-yl)-N-propylacetamide?
The canonical SMILES for N-(azetidin-3-yl)-2-(1,1-dioxothiolan-3-yl)-N-propylacetamide is CCCN(C(=O)CC1CCS(=O)(=O)C1)C1CNC1.
What is the InChIKey of N-(azetidin-3-yl)-2-(1,1-dioxothiolan-3-yl)-N-propylacetamide?
The InChIKey is YJTQNQMQDSCZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3S/c1-2-4-14(11-7-13-8-11)12(15)6-10-3-5-18(16,17)9-10/h10-11,13H,2-9H2,1H3.
What are the key properties of N-(azetidin-3-yl)-2-(1,1-dioxothiolan-3-yl)-N-propylacetamide?
N-(azetidin-3-yl)-2-(1,1-dioxothiolan-3-yl)-N-propylacetamide has a molecular weight of 274.39 g/mol, XLogP of 0.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-2-(1,1-dioxothiolan-3-yl)-N-propylacetamide is sourced from PubChem (CID 66216056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).