N-(2-tert-butylsulfinylethyl)-1-propylcyclobutane-1-carboxamide

C14H27NO2S — CID 71852652

IUPACN-(2-tert-butylsulfinylethyl)-1-propylcyclobutane-1-carboxamide
SMILESCCCC1(C(=O)NCCS(=O)C(C)(C)C)CCC1
InChIInChI=1S/C14H27NO2S/c1-5-7-14(8-6-9-14)12(16)15-10-11-18(17)13(2,3)4/h5-11H2,1-4H3,(H,15,16)
InChIKeyAAFWMBQUDULXQM-UHFFFAOYSA-N
MW273.44 g/mol
LogP2.62
Rot. Bonds6

About N-(2-tert-butylsulfinylethyl)-1-propylcyclobutane-1-carboxamide

N-(2-tert-butylsulfinylethyl)-1-propylcyclobutane-1-carboxamide (PubChem CID 71852652) has the molecular formula C14H27NO2S and a molecular weight of 273.44 g/mol. Its IUPAC name is N-(2-tert-butylsulfinylethyl)-1-propylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butylsulfinylethyl)-1-propylcyclobutane-1-carboxamide
PubChem CID71852652
Molecular FormulaC14H27NO2S
Molecular Weight273.44 g/mol
Exact Mass273.18
IUPAC NameN-(2-tert-butylsulfinylethyl)-1-propylcyclobutane-1-carboxamide
SMILESCCCC1(C(=O)NCCS(=O)C(C)(C)C)CCC1
InChIInChI=1S/C14H27NO2S/c1-5-7-14(8-6-9-14)12(16)15-10-11-18(17)13(2,3)4/h5-11H2,1-4H3,(H,15,16)
InChIKeyAAFWMBQUDULXQM-UHFFFAOYSA-N
XLogP2.62
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.44
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylsulfinylethyl)-1-propylcyclobutane-1-carboxamide?
The IUPAC name of N-(2-tert-butylsulfinylethyl)-1-propylcyclobutane-1-carboxamide (CID 71852652) is N-(2-tert-butylsulfinylethyl)-1-propylcyclobutane-1-carboxamide.
What is the SMILES notation for N-(2-tert-butylsulfinylethyl)-1-propylcyclobutane-1-carboxamide?
The canonical SMILES for N-(2-tert-butylsulfinylethyl)-1-propylcyclobutane-1-carboxamide is CCCC1(C(=O)NCCS(=O)C(C)(C)C)CCC1.
What is the InChIKey of N-(2-tert-butylsulfinylethyl)-1-propylcyclobutane-1-carboxamide?
The InChIKey is AAFWMBQUDULXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2S/c1-5-7-14(8-6-9-14)12(16)15-10-11-18(17)13(2,3)4/h5-11H2,1-4H3,(H,15,16).
What are the key properties of N-(2-tert-butylsulfinylethyl)-1-propylcyclobutane-1-carboxamide?
N-(2-tert-butylsulfinylethyl)-1-propylcyclobutane-1-carboxamide has a molecular weight of 273.44 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylsulfinylethyl)-1-propylcyclobutane-1-carboxamide is sourced from PubChem (CID 71852652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).