N-cyclopentyl-N'-[2-(dimethylamino)ethyl]-N'-(1,1-dioxothiolan-3-yl)oxamide

C15H27N3O4S — CID 108505986

IUPACN-cyclopentyl-N'-[2-(dimethylamino)ethyl]-N'-(1,1-dioxothiolan-3-yl)oxamide
SMILESCN(C)CCN(C(=O)C(=O)NC1CCCC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H27N3O4S/c1-17(2)8-9-18(13-7-10-23(21,22)11-13)15(20)14(19)16-12-5-3-4-6-12/h12-13H,3-11H2,1-2H3,(H,16,19)
InChIKeyIPSFKAOUGHWZCA-UHFFFAOYSA-N
MW345.47 g/mol
LogP-0.38
Rot. Bonds5

About N-cyclopentyl-N'-[2-(dimethylamino)ethyl]-N'-(1,1-dioxothiolan-3-yl)oxamide

N-cyclopentyl-N'-[2-(dimethylamino)ethyl]-N'-(1,1-dioxothiolan-3-yl)oxamide (PubChem CID 108505986) has the molecular formula C15H27N3O4S and a molecular weight of 345.47 g/mol. Its IUPAC name is N-cyclopentyl-N'-[2-(dimethylamino)ethyl]-N'-(1,1-dioxothiolan-3-yl)oxamide.

Molecular Properties

Compound NameN-cyclopentyl-N'-[2-(dimethylamino)ethyl]-N'-(1,1-dioxothiolan-3-yl)oxamide
PubChem CID108505986
Molecular FormulaC15H27N3O4S
Molecular Weight345.47 g/mol
Exact Mass345.17
IUPAC NameN-cyclopentyl-N'-[2-(dimethylamino)ethyl]-N'-(1,1-dioxothiolan-3-yl)oxamide
SMILESCN(C)CCN(C(=O)C(=O)NC1CCCC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H27N3O4S/c1-17(2)8-9-18(13-7-10-23(21,22)11-13)15(20)14(19)16-12-5-3-4-6-12/h12-13H,3-11H2,1-2H3,(H,16,19)
InChIKeyIPSFKAOUGHWZCA-UHFFFAOYSA-N
XLogP-0.38
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-cycloheptyl-N'-[2-(dimethylamino)ethyl]-N'-(1,1-dioxothiolan-3-yl)oxamide
CID 108527178
N-cyclopentyl-N'-(1,1-dioxothiolan-3-yl)-N'-methyloxamide
CID 108505985
(Z)-2-cyano-N-cyclopentyl-3-[2-(dimethylamino)ethyl-(1,1-dioxothiolan-3-yl)amino]prop-2-enamide
CID 108835603
N'-[2-(dimethylamino)ethyl]-N'-(1,1-dioxothiolan-3-yl)-N-(3-methylphenyl)oxamide
CID 108515684
3-cyclohexyl-1-(1,1-dioxothiolan-3-yl)-1-methylurea
CID 47108060
N'-[2-(dimethylamino)ethyl]-N'-(1,1-dioxothiolan-3-yl)-N-(3-morpholin-4-ylpropyl)oxamide
CID 108518470
N-(2-chloro-4,6-dimethylphenyl)-N'-[2-(dimethylamino)ethyl]-N'-(1,1-dioxothiolan-3-yl)oxamide
CID 108527205
N-(3-chloro-4-fluorophenyl)-N'-[2-(dimethylamino)ethyl]-N'-(1,1-dioxothiolan-3-yl)oxamide
CID 108527172
N'-(1,1-dioxothiolan-3-yl)-N'-(2-methoxyethyl)-N-methyloxamide
CID 108526153
N-cyclohexyl-3-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]propanamide
CID 113140503
N-cycloheptyl-N'-(1,1-dioxothiolan-3-yl)-N'-ethyl-2,2-dimethylpropanediamide
CID 108965235
3-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-1-ethylurea
CID 47238302

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N'-[2-(dimethylamino)ethyl]-N'-(1,1-dioxothiolan-3-yl)oxamide?
The IUPAC name of N-cyclopentyl-N'-[2-(dimethylamino)ethyl]-N'-(1,1-dioxothiolan-3-yl)oxamide (CID 108505986) is N-cyclopentyl-N'-[2-(dimethylamino)ethyl]-N'-(1,1-dioxothiolan-3-yl)oxamide.
What is the SMILES notation for N-cyclopentyl-N'-[2-(dimethylamino)ethyl]-N'-(1,1-dioxothiolan-3-yl)oxamide?
The canonical SMILES for N-cyclopentyl-N'-[2-(dimethylamino)ethyl]-N'-(1,1-dioxothiolan-3-yl)oxamide is CN(C)CCN(C(=O)C(=O)NC1CCCC1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-cyclopentyl-N'-[2-(dimethylamino)ethyl]-N'-(1,1-dioxothiolan-3-yl)oxamide?
The InChIKey is IPSFKAOUGHWZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O4S/c1-17(2)8-9-18(13-7-10-23(21,22)11-13)15(20)14(19)16-12-5-3-4-6-12/h12-13H,3-11H2,1-2H3,(H,16,19).
What are the key properties of N-cyclopentyl-N'-[2-(dimethylamino)ethyl]-N'-(1,1-dioxothiolan-3-yl)oxamide?
N-cyclopentyl-N'-[2-(dimethylamino)ethyl]-N'-(1,1-dioxothiolan-3-yl)oxamide has a molecular weight of 345.47 g/mol, XLogP of -0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N'-[2-(dimethylamino)ethyl]-N'-(1,1-dioxothiolan-3-yl)oxamide is sourced from PubChem (CID 108505986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).