N-(2-tert-butylsulfinylethyl)-2-thiophen-2-ylmorpholine-4-carboxamide

C15H24N2O3S2 — CID 71918287

IUPACN-(2-tert-butylsulfinylethyl)-2-thiophen-2-ylmorpholine-4-carboxamide
SMILESCC(C)(C)S(=O)CCNC(=O)N1CCOC(c2cccs2)C1
InChIInChI=1S/C15H24N2O3S2/c1-15(2,3)22(19)10-6-16-14(18)17-7-8-20-12(11-17)13-5-4-9-21-13/h4-5,9,12H,6-8,10-11H2,1-3H3,(H,16,18)
InChIKeyMOBZBHYMKNPBPT-UHFFFAOYSA-N
MW344.50 g/mol
LogP2.38
Rot. Bonds4

About N-(2-tert-butylsulfinylethyl)-2-thiophen-2-ylmorpholine-4-carboxamide

N-(2-tert-butylsulfinylethyl)-2-thiophen-2-ylmorpholine-4-carboxamide (PubChem CID 71918287) has the molecular formula C15H24N2O3S2 and a molecular weight of 344.50 g/mol. Its IUPAC name is N-(2-tert-butylsulfinylethyl)-2-thiophen-2-ylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butylsulfinylethyl)-2-thiophen-2-ylmorpholine-4-carboxamide
PubChem CID71918287
Molecular FormulaC15H24N2O3S2
Molecular Weight344.50 g/mol
Exact Mass344.12
IUPAC NameN-(2-tert-butylsulfinylethyl)-2-thiophen-2-ylmorpholine-4-carboxamide
SMILESCC(C)(C)S(=O)CCNC(=O)N1CCOC(c2cccs2)C1
InChIInChI=1S/C15H24N2O3S2/c1-15(2,3)22(19)10-6-16-14(18)17-7-8-20-12(11-17)13-5-4-9-21-13/h4-5,9,12H,6-8,10-11H2,1-3H3,(H,16,18)
InChIKeyMOBZBHYMKNPBPT-UHFFFAOYSA-N
XLogP2.38
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylsulfinylethyl)-2-thiophen-2-ylmorpholine-4-carboxamide?
The IUPAC name of N-(2-tert-butylsulfinylethyl)-2-thiophen-2-ylmorpholine-4-carboxamide (CID 71918287) is N-(2-tert-butylsulfinylethyl)-2-thiophen-2-ylmorpholine-4-carboxamide.
What is the SMILES notation for N-(2-tert-butylsulfinylethyl)-2-thiophen-2-ylmorpholine-4-carboxamide?
The canonical SMILES for N-(2-tert-butylsulfinylethyl)-2-thiophen-2-ylmorpholine-4-carboxamide is CC(C)(C)S(=O)CCNC(=O)N1CCOC(c2cccs2)C1.
What is the InChIKey of N-(2-tert-butylsulfinylethyl)-2-thiophen-2-ylmorpholine-4-carboxamide?
The InChIKey is MOBZBHYMKNPBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S2/c1-15(2,3)22(19)10-6-16-14(18)17-7-8-20-12(11-17)13-5-4-9-21-13/h4-5,9,12H,6-8,10-11H2,1-3H3,(H,16,18).
What are the key properties of N-(2-tert-butylsulfinylethyl)-2-thiophen-2-ylmorpholine-4-carboxamide?
N-(2-tert-butylsulfinylethyl)-2-thiophen-2-ylmorpholine-4-carboxamide has a molecular weight of 344.50 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylsulfinylethyl)-2-thiophen-2-ylmorpholine-4-carboxamide is sourced from PubChem (CID 71918287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).