N-(5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide

C15H21NO2S — CID 141226960

IUPACN-(5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
SMILESCC1(C)C(C(=O)Nc2cc3c(s2)COCC3)C1(C)C
InChIInChI=1S/C15H21NO2S/c1-14(2)12(15(14,3)4)13(17)16-11-7-9-5-6-18-8-10(9)19-11/h7,12H,5-6,8H2,1-4H3,(H,16,17)
InChIKeyMIGVUSGZDQOYPD-UHFFFAOYSA-N
MW279.41 g/mol
LogP3.44
Rot. Bonds2

About N-(5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide

N-(5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide (PubChem CID 141226960) has the molecular formula C15H21NO2S and a molecular weight of 279.41 g/mol. Its IUPAC name is N-(5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
PubChem CID141226960
Molecular FormulaC15H21NO2S
Molecular Weight279.41 g/mol
Exact Mass279.13
IUPAC NameN-(5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
SMILESCC1(C)C(C(=O)Nc2cc3c(s2)COCC3)C1(C)C
InChIInChI=1S/C15H21NO2S/c1-14(2)12(15(14,3)4)13(17)16-11-7-9-5-6-18-8-10(9)19-11/h7,12H,5-6,8H2,1-4H3,(H,16,17)
InChIKeyMIGVUSGZDQOYPD-UHFFFAOYSA-N
XLogP3.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl)-2,2,3,3-tetramethylcyclopropane-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

Frequently Asked Questions

What is the IUPAC name of N-(5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The IUPAC name of N-(5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide (CID 141226960) is N-(5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The canonical SMILES for N-(5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide is CC1(C)C(C(=O)Nc2cc3c(s2)COCC3)C1(C)C.
What is the InChIKey of N-(5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The InChIKey is MIGVUSGZDQOYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-14(2)12(15(14,3)4)13(17)16-11-7-9-5-6-18-8-10(9)19-11/h7,12H,5-6,8H2,1-4H3,(H,16,17).
What are the key properties of N-(5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
N-(5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide has a molecular weight of 279.41 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide is sourced from PubChem (CID 141226960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).