N-(3-amino-2-methylpropyl)-N-ethyl-1,1-dioxothiolane-3-carboxamide

C11H22N2O3S — CID 64913364

IUPACN-(3-amino-2-methylpropyl)-N-ethyl-1,1-dioxothiolane-3-carboxamide
SMILESCCN(CC(C)CN)C(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H22N2O3S/c1-3-13(7-9(2)6-12)11(14)10-4-5-17(15,16)8-10/h9-10H,3-8,12H2,1-2H3
InChIKeyOQWBRJAERHZVOI-UHFFFAOYSA-N
MW262.37 g/mol
LogP-0.14
Rot. Bonds5

About N-(3-amino-2-methylpropyl)-N-ethyl-1,1-dioxothiolane-3-carboxamide

N-(3-amino-2-methylpropyl)-N-ethyl-1,1-dioxothiolane-3-carboxamide (PubChem CID 64913364) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-N-ethyl-1,1-dioxothiolane-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-N-ethyl-1,1-dioxothiolane-3-carboxamide
PubChem CID64913364
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC NameN-(3-amino-2-methylpropyl)-N-ethyl-1,1-dioxothiolane-3-carboxamide
SMILESCCN(CC(C)CN)C(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H22N2O3S/c1-3-13(7-9(2)6-12)11(14)10-4-5-17(15,16)8-10/h9-10H,3-8,12H2,1-2H3
InChIKeyOQWBRJAERHZVOI-UHFFFAOYSA-N
XLogP-0.14
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloroethyl)-1,1-dioxo-N-propylthiolane-3-carboxamide
CID 64906671
(3S)-N-ethyl-1,1-dioxo-N-[[(3R)-oxolan-3-yl]methyl]thiolane-3-carboxamide
CID 94174845
N-(3-amino-2-methylpropyl)-N-ethyl-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 104621891
4-amino-N-ethyl-N-(2-methylbutyl)cyclohexane-1-carboxamide
CID 79469783
methyl 2-[(1,1-dioxothiolane-3-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 62952441
N-(3-aminopropyl)-N-(2-methoxyethyl)-1,1-dioxothiolane-3-carboxamide
CID 64913179
N-ethyl-N-(2-methylbutyl)piperidine-4-carboxamide
CID 79470658
N-(3-amino-2,2-dimethylpropyl)-N-methyl-1,1-dioxothiolane-3-carboxamide
CID 79652406
1,1-dioxo-N-(3-oxopentan-2-yl)thiolane-3-carboxamide
CID 64996718
N-(dicyclopropylmethyl)-N-methyl-1,1-dioxothiolane-3-carboxamide
CID 49343158
1-N-(1,1-dioxothiolan-3-yl)-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide
CID 109149217
2-[(1,1-dioxothiolan-3-yl)amino]-N,N-diethylpropanamide
CID 43112784

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-N-ethyl-1,1-dioxothiolane-3-carboxamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-N-ethyl-1,1-dioxothiolane-3-carboxamide (CID 64913364) is N-(3-amino-2-methylpropyl)-N-ethyl-1,1-dioxothiolane-3-carboxamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-N-ethyl-1,1-dioxothiolane-3-carboxamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-N-ethyl-1,1-dioxothiolane-3-carboxamide is CCN(CC(C)CN)C(=O)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(3-amino-2-methylpropyl)-N-ethyl-1,1-dioxothiolane-3-carboxamide?
The InChIKey is OQWBRJAERHZVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-3-13(7-9(2)6-12)11(14)10-4-5-17(15,16)8-10/h9-10H,3-8,12H2,1-2H3.
What are the key properties of N-(3-amino-2-methylpropyl)-N-ethyl-1,1-dioxothiolane-3-carboxamide?
N-(3-amino-2-methylpropyl)-N-ethyl-1,1-dioxothiolane-3-carboxamide has a molecular weight of 262.37 g/mol, XLogP of -0.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-N-ethyl-1,1-dioxothiolane-3-carboxamide is sourced from PubChem (CID 64913364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).