2-[2-[3-(dimethylamino)propylamino]ethyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one

C11H23N3O3S — CID 79886265

IUPAC2-[2-[3-(dimethylamino)propylamino]ethyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
SMILESCN(C)CCCNCCN1C(=O)C(C)(C)S1(=O)=O
InChIInChI=1S/C11H23N3O3S/c1-11(2)10(15)14(18(11,16)17)9-7-12-6-5-8-13(3)4/h12H,5-9H2,1-4H3
InChIKeyHUAMGDMUDHFCSU-UHFFFAOYSA-N
MW277.39 g/mol
LogP-0.52
Rot. Bonds7

About 2-[2-[3-(dimethylamino)propylamino]ethyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one

2-[2-[3-(dimethylamino)propylamino]ethyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one (PubChem CID 79886265) has the molecular formula C11H23N3O3S and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-[2-[3-(dimethylamino)propylamino]ethyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one.

Molecular Properties

Compound Name2-[2-[3-(dimethylamino)propylamino]ethyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
PubChem CID79886265
Molecular FormulaC11H23N3O3S
Molecular Weight277.39 g/mol
Exact Mass277.15
IUPAC Name2-[2-[3-(dimethylamino)propylamino]ethyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
SMILESCN(C)CCCNCCN1C(=O)C(C)(C)S1(=O)=O
InChIInChI=1S/C11H23N3O3S/c1-11(2)10(15)14(18(11,16)17)9-7-12-6-5-8-13(3)4/h12H,5-9H2,1-4H3
InChIKeyHUAMGDMUDHFCSU-UHFFFAOYSA-N
XLogP-0.52
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4,4-Dimethyl-1,1-dioxo-2-[2-(2,2,2-trifluoroethylamino)ethyl]thiazetidin-3-one
CID 79886261
N-[2-(ethylsulfonylamino)ethyl]-2-methylpropanamide
CID 57561784
N-[1-(3-methylazetidin-1-yl)-1-oxopropan-2-yl]butane-1-sulfonamide
CID 57806642
N-(2-aminoethyl)-2-(tert-butylsulfonylamino)acetamide
CID 57881395
2-methyl-N-[2-(propan-2-ylsulfonylamino)ethyl]propanamide
CID 57959380
2-(azetidin-1-ylsulfonyl)-N-(3,3-dimethylbutyl)-2-methylpropanamide
CID 59634338
2-methyl-N-(1-methylsulfonylazetidin-3-yl)propanamide
CID 70852288
N-[2-(methanesulfonamido)ethyl]azetidine-3-carboxamide;hydrochloride
CID 120306639
2,2-dimethyl-N-(1-methylsulfonylazetidin-3-yl)propanamide
CID 146312726
N-[3-(methanesulfonamido)propyl]-N-[2-(methylamino)ethyl]acetamide
CID 148020726
N-[2-(ethylsulfonylamino)ethyl]-N-methylpropanamide
CID 152041550
N-[2-(propan-2-ylsulfonylamino)ethyl]propanamide
CID 156039310

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(dimethylamino)propylamino]ethyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The IUPAC name of 2-[2-[3-(dimethylamino)propylamino]ethyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one (CID 79886265) is 2-[2-[3-(dimethylamino)propylamino]ethyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one.
What is the SMILES notation for 2-[2-[3-(dimethylamino)propylamino]ethyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The canonical SMILES for 2-[2-[3-(dimethylamino)propylamino]ethyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one is CN(C)CCCNCCN1C(=O)C(C)(C)S1(=O)=O.
What is the InChIKey of 2-[2-[3-(dimethylamino)propylamino]ethyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The InChIKey is HUAMGDMUDHFCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3S/c1-11(2)10(15)14(18(11,16)17)9-7-12-6-5-8-13(3)4/h12H,5-9H2,1-4H3.
What are the key properties of 2-[2-[3-(dimethylamino)propylamino]ethyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
2-[2-[3-(dimethylamino)propylamino]ethyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one has a molecular weight of 277.39 g/mol, XLogP of -0.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(dimethylamino)propylamino]ethyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one is sourced from PubChem (CID 79886265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).