1-(aminomethyl)-N-(1,1-dioxothiolan-3-yl)-N-ethylcyclopropane-1-carboxamide

C11H20N2O3S — CID 115452794

IUPAC1-(aminomethyl)-N-(1,1-dioxothiolan-3-yl)-N-ethylcyclopropane-1-carboxamide
SMILESCCN(C(=O)C1(CN)CC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H20N2O3S/c1-2-13(9-3-6-17(15,16)7-9)10(14)11(8-12)4-5-11/h9H,2-8,12H2,1H3
InChIKeyKKTZVJANLSFXPY-UHFFFAOYSA-N
MW260.36 g/mol
LogP-0.24
Rot. Bonds4

About 1-(aminomethyl)-N-(1,1-dioxothiolan-3-yl)-N-ethylcyclopropane-1-carboxamide

1-(aminomethyl)-N-(1,1-dioxothiolan-3-yl)-N-ethylcyclopropane-1-carboxamide (PubChem CID 115452794) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(1,1-dioxothiolan-3-yl)-N-ethylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(1,1-dioxothiolan-3-yl)-N-ethylcyclopropane-1-carboxamide
PubChem CID115452794
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC Name1-(aminomethyl)-N-(1,1-dioxothiolan-3-yl)-N-ethylcyclopropane-1-carboxamide
SMILESCCN(C(=O)C1(CN)CC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H20N2O3S/c1-2-13(9-3-6-17(15,16)7-9)10(14)11(8-12)4-5-11/h9H,2-8,12H2,1H3
InChIKeyKKTZVJANLSFXPY-UHFFFAOYSA-N
XLogP-0.24
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)oxane-4-carboxamide
CID 115439230
N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-propylpyrrolidine-3-carboxamide
CID 63140283
3-amino-N-(1,1-dioxothiolan-3-yl)-N-ethyloxolane-3-carboxamide
CID 64891148
1-(1,1-dioxothiolan-3-yl)-1,3,3-triethylurea
CID 108989786
1-(aminomethyl)-N-cyclopropyl-N-ethyl-4-methylcyclohexane-1-carboxamide
CID 115441467
(2R)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide
CID 78973243
2-bromo-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 63680610
ethyl 2-[[(3R)-1,1-dioxothiolan-3-yl]-ethylamino]-2-oxoacetate
CID 7732470
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[ethyl(methyl)amino]acetamide
CID 60516837
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2,2,2-trifluoroacetamide
CID 63374753
1-(aminomethyl)-N-cyclohexyl-N-ethyl-4-methylcyclohexane-1-carboxamide
CID 115441343
3-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-1-ethylurea
CID 47238302

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(1,1-dioxothiolan-3-yl)-N-ethylcyclopropane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(1,1-dioxothiolan-3-yl)-N-ethylcyclopropane-1-carboxamide (CID 115452794) is 1-(aminomethyl)-N-(1,1-dioxothiolan-3-yl)-N-ethylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(1,1-dioxothiolan-3-yl)-N-ethylcyclopropane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(1,1-dioxothiolan-3-yl)-N-ethylcyclopropane-1-carboxamide is CCN(C(=O)C1(CN)CC1)C1CCS(=O)(=O)C1.
What is the InChIKey of 1-(aminomethyl)-N-(1,1-dioxothiolan-3-yl)-N-ethylcyclopropane-1-carboxamide?
The InChIKey is KKTZVJANLSFXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c1-2-13(9-3-6-17(15,16)7-9)10(14)11(8-12)4-5-11/h9H,2-8,12H2,1H3.
What are the key properties of 1-(aminomethyl)-N-(1,1-dioxothiolan-3-yl)-N-ethylcyclopropane-1-carboxamide?
1-(aminomethyl)-N-(1,1-dioxothiolan-3-yl)-N-ethylcyclopropane-1-carboxamide has a molecular weight of 260.36 g/mol, XLogP of -0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(1,1-dioxothiolan-3-yl)-N-ethylcyclopropane-1-carboxamide is sourced from PubChem (CID 115452794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).