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

C14H26N2O2S — CID 114829634

IUPAC1-amino-3-ethoxy-2,2-dimethyl-N-(thiolan-2-ylmethyl)cyclobutane-1-carboxamide
SMILESCCOC1CC(N)(C(=O)NCC2CCCS2)C1(C)C
InChIInChI=1S/C14H26N2O2S/c1-4-18-11-8-14(15,13(11,2)3)12(17)16-9-10-6-5-7-19-10/h10-11H,4-9,15H2,1-3H3,(H,16,17)
InChIKeySQDTUIPVPYPNRZ-UHFFFAOYSA-N
MW286.44 g/mol
LogP1.53
Rot. Bonds5

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

1-amino-3-ethoxy-2,2-dimethyl-N-(thiolan-2-ylmethyl)cyclobutane-1-carboxamide (PubChem CID 114829634) 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-2-ylmethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-ethoxy-2,2-dimethyl-N-(thiolan-2-ylmethyl)cyclobutane-1-carboxamide
PubChem CID114829634
Molecular FormulaC14H26N2O2S
Molecular Weight286.44 g/mol
Exact Mass286.17
IUPAC Name1-amino-3-ethoxy-2,2-dimethyl-N-(thiolan-2-ylmethyl)cyclobutane-1-carboxamide
SMILESCCOC1CC(N)(C(=O)NCC2CCCS2)C1(C)C
InChIInChI=1S/C14H26N2O2S/c1-4-18-11-8-14(15,13(11,2)3)12(17)16-9-10-6-5-7-19-10/h10-11H,4-9,15H2,1-3H3,(H,16,17)
InChIKeySQDTUIPVPYPNRZ-UHFFFAOYSA-N
XLogP1.53
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 ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-ethoxy-2,2-dimethyl-N-(thiolan-2-ylmethyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-amino-3-ethoxy-2,2-dimethyl-N-(thiolan-2-ylmethyl)cyclobutane-1-carboxamide (CID 114829634) is 1-amino-3-ethoxy-2,2-dimethyl-N-(thiolan-2-ylmethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-3-ethoxy-2,2-dimethyl-N-(thiolan-2-ylmethyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-3-ethoxy-2,2-dimethyl-N-(thiolan-2-ylmethyl)cyclobutane-1-carboxamide is CCOC1CC(N)(C(=O)NCC2CCCS2)C1(C)C.
What is the InChIKey of 1-amino-3-ethoxy-2,2-dimethyl-N-(thiolan-2-ylmethyl)cyclobutane-1-carboxamide?
The InChIKey is SQDTUIPVPYPNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2S/c1-4-18-11-8-14(15,13(11,2)3)12(17)16-9-10-6-5-7-19-10/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-2-ylmethyl)cyclobutane-1-carboxamide?
1-amino-3-ethoxy-2,2-dimethyl-N-(thiolan-2-ylmethyl)cyclobutane-1-carboxamide has a molecular weight of 286.44 g/mol, XLogP of 1.53, 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-2-ylmethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 114829634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).