N-(3-amino-2,2-dimethylpropyl)-N-ethyl-1,1-dioxothiane-2-carboxamide

C13H26N2O3S — CID 104520788

IUPACN-(3-amino-2,2-dimethylpropyl)-N-ethyl-1,1-dioxothiane-2-carboxamide
SMILESCCN(CC(C)(C)CN)C(=O)C1CCCCS1(=O)=O
InChIInChI=1S/C13H26N2O3S/c1-4-15(10-13(2,3)9-14)12(16)11-7-5-6-8-19(11,17)18/h11H,4-10,14H2,1-3H3
InChIKeyYAHFXLZPJMICMJ-UHFFFAOYSA-N
MW290.43 g/mol
LogP0.79
Rot. Bonds5

About N-(3-amino-2,2-dimethylpropyl)-N-ethyl-1,1-dioxothiane-2-carboxamide

N-(3-amino-2,2-dimethylpropyl)-N-ethyl-1,1-dioxothiane-2-carboxamide (PubChem CID 104520788) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N-ethyl-1,1-dioxothiane-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N-ethyl-1,1-dioxothiane-2-carboxamide
PubChem CID104520788
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N-ethyl-1,1-dioxothiane-2-carboxamide
SMILESCCN(CC(C)(C)CN)C(=O)C1CCCCS1(=O)=O
InChIInChI=1S/C13H26N2O3S/c1-4-15(10-13(2,3)9-14)12(16)11-7-5-6-8-19(11,17)18/h11H,4-10,14H2,1-3H3
InChIKeyYAHFXLZPJMICMJ-UHFFFAOYSA-N
XLogP0.79
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloroethyl)-N-ethyl-1,1-dioxothiane-2-carboxamide
CID 104522236
N-(3-amino-2,2-dimethylpropyl)-N-ethylthiolane-2-carboxamide
CID 79668560
N-(3-amino-2,2-dimethylpropyl)-N-propylcyclohexanecarboxamide
CID 79668335
2-[(1,1-dioxothiane-2-carbonyl)-propylamino]acetic acid
CID 104517504
N-[2-(aminomethyl)cyclopentyl]-N-ethyl-1,1-dioxothiane-2-carboxamide
CID 104520754
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 79667741
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-5-oxopyrrolidine-2-carboxamide
CID 79668308
N-(2-amino-2-hydroxyiminoethyl)-1,1-dioxo-N-propylthiane-2-carboxamide
CID 104521777
N-[2-(aminomethyl)cyclohexyl]-N-methyl-1,1-dioxothiane-2-carboxamide
CID 104520756
N-(3-amino-2,2-dimethylpropyl)-3-cyclohexyl-N-propylpropanamide
CID 79667842
N-(2-aminoethyl)-1,1-dioxo-N-propan-2-ylthiane-2-carboxamide
CID 113421782
2-[(1,1-dioxothiane-2-carbonyl)-methylamino]acetic acid
CID 104517408

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-ethyl-1,1-dioxothiane-2-carboxamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-ethyl-1,1-dioxothiane-2-carboxamide (CID 104520788) is N-(3-amino-2,2-dimethylpropyl)-N-ethyl-1,1-dioxothiane-2-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N-ethyl-1,1-dioxothiane-2-carboxamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N-ethyl-1,1-dioxothiane-2-carboxamide is CCN(CC(C)(C)CN)C(=O)C1CCCCS1(=O)=O.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N-ethyl-1,1-dioxothiane-2-carboxamide?
The InChIKey is YAHFXLZPJMICMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-4-15(10-13(2,3)9-14)12(16)11-7-5-6-8-19(11,17)18/h11H,4-10,14H2,1-3H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N-ethyl-1,1-dioxothiane-2-carboxamide?
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-1,1-dioxothiane-2-carboxamide has a molecular weight of 290.43 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N-ethyl-1,1-dioxothiane-2-carboxamide is sourced from PubChem (CID 104520788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).