1-amino-3-ethoxy-2,2-dimethyl-N-(thiolan-3-ylmethyl)cyclobutane-1-carboxamide

C14H26N2O2S — CID 107295997

IUPAC1-amino-3-ethoxy-2,2-dimethyl-N-(thiolan-3-ylmethyl)cyclobutane-1-carboxamide
SMILESCCOC1CC(N)(C(=O)NCC2CCSC2)C1(C)C
InChIInChI=1S/C14H26N2O2S/c1-4-18-11-7-14(15,13(11,2)3)12(17)16-8-10-5-6-19-9-10/h10-11H,4-9,15H2,1-3H3,(H,16,17)
InChIKeyCFIKFYXXRUXRMT-UHFFFAOYSA-N
MW286.44 g/mol
LogP1.39
Rot. Bonds5

About 1-amino-3-ethoxy-2,2-dimethyl-N-(thiolan-3-ylmethyl)cyclobutane-1-carboxamide

1-amino-3-ethoxy-2,2-dimethyl-N-(thiolan-3-ylmethyl)cyclobutane-1-carboxamide (PubChem CID 107295997) has the molecular formula C14H26N2O2S and a molecular weight of 286.44 g/mol. Its IUPAC name is 1-amino-3-ethoxy-2,2-dimethyl-N-(thiolan-3-ylmethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-ethoxy-2,2-dimethyl-N-(thiolan-3-ylmethyl)cyclobutane-1-carboxamide
PubChem CID107295997
Molecular FormulaC14H26N2O2S
Molecular Weight286.44 g/mol
Exact Mass286.17
IUPAC Name1-amino-3-ethoxy-2,2-dimethyl-N-(thiolan-3-ylmethyl)cyclobutane-1-carboxamide
SMILESCCOC1CC(N)(C(=O)NCC2CCSC2)C1(C)C
InChIInChI=1S/C14H26N2O2S/c1-4-18-11-7-14(15,13(11,2)3)12(17)16-8-10-5-6-19-9-10/h10-11H,4-9,15H2,1-3H3,(H,16,17)
InChIKeyCFIKFYXXRUXRMT-UHFFFAOYSA-N
XLogP1.39
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-amino-3-ethoxy-2,2-dimethyl-N-(thiolan-3-ylmethyl)cyclobutane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-amino-3-ethoxy-2,2-dimethyl-N-[(3-methylcyclopentyl)methyl]cyclobutane-1-carboxamide
CID 107413102
1-amino-3-ethoxy-N-ethyl-2,2-dimethylcyclobutane-1-carboxamide
CID 114827765
1-amino-3-ethoxy-N-[(3-hydroxycyclohexyl)methyl]-2,2-dimethylcyclobutane-1-carboxamide
CID 106135055
1-amino-3-ethoxy-2,2-dimethyl-N-(2,2,3,3-tetramethylcyclopropyl)cyclobutane-1-carboxamide
CID 114829539
1-amino-3-ethoxy-N-hydroxy-2,2-dimethylcyclobutane-1-carboxamide
CID 114829312
1-amino-N-(cyanomethyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide
CID 114828942
1-amino-N-(thiolan-3-ylmethyl)cyclopropane-1-carboxamide
CID 107296095
1-amino-3-ethoxy-2,2-dimethyl-N-[(5-oxopyrrolidin-2-yl)methyl]cyclobutane-1-carboxamide
CID 114829352
1-amino-3-ethoxy-2,2-dimethyl-N-prop-2-enylcyclobutane-1-carboxamide
CID 114827944
1-amino-3-ethoxy-N-(2-methoxyethyl)-2,2-dimethylcyclobutane-1-carboxamide
CID 114827759
1-amino-3-ethoxy-2,2-dimethyl-N-(2-methylcyclopropyl)cyclobutane-1-carboxamide
CID 114829122
1-amino-3-ethoxy-N-(4-hydroxybutyl)-2,2-dimethylcyclobutane-1-carboxamide
CID 106842172

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-ethoxy-2,2-dimethyl-N-(thiolan-3-ylmethyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-amino-3-ethoxy-2,2-dimethyl-N-(thiolan-3-ylmethyl)cyclobutane-1-carboxamide (CID 107295997) is 1-amino-3-ethoxy-2,2-dimethyl-N-(thiolan-3-ylmethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-3-ethoxy-2,2-dimethyl-N-(thiolan-3-ylmethyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-3-ethoxy-2,2-dimethyl-N-(thiolan-3-ylmethyl)cyclobutane-1-carboxamide is CCOC1CC(N)(C(=O)NCC2CCSC2)C1(C)C.
What is the InChIKey of 1-amino-3-ethoxy-2,2-dimethyl-N-(thiolan-3-ylmethyl)cyclobutane-1-carboxamide?
The InChIKey is CFIKFYXXRUXRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2S/c1-4-18-11-7-14(15,13(11,2)3)12(17)16-8-10-5-6-19-9-10/h10-11H,4-9,15H2,1-3H3,(H,16,17).
What are the key properties of 1-amino-3-ethoxy-2,2-dimethyl-N-(thiolan-3-ylmethyl)cyclobutane-1-carboxamide?
1-amino-3-ethoxy-2,2-dimethyl-N-(thiolan-3-ylmethyl)cyclobutane-1-carboxamide has a molecular weight of 286.44 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-ethoxy-2,2-dimethyl-N-(thiolan-3-ylmethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 107295997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).