N-(oxan-4-yl)thiane-4-carboxamide

C11H19NO2S — CID 171577314

IUPACN-(oxan-4-yl)thiane-4-carboxamide
SMILESO=C(NC1CCOCC1)C1CCSCC1
InChIInChI=1S/C11H19NO2S/c13-11(9-3-7-15-8-4-9)12-10-1-5-14-6-2-10/h9-10H,1-8H2,(H,12,13)
InChIKeyKROHSXDTXGKAML-UHFFFAOYSA-N
MW229.34 g/mol
LogP1.42
Rot. Bonds2

About N-(oxan-4-yl)thiane-4-carboxamide

N-(oxan-4-yl)thiane-4-carboxamide (PubChem CID 171577314) has the molecular formula C11H19NO2S and a molecular weight of 229.34 g/mol. Its IUPAC name is N-(oxan-4-yl)thiane-4-carboxamide.

Molecular Properties

Compound NameN-(oxan-4-yl)thiane-4-carboxamide
PubChem CID171577314
Molecular FormulaC11H19NO2S
Molecular Weight229.34 g/mol
Exact Mass229.11
IUPAC NameN-(oxan-4-yl)thiane-4-carboxamide
SMILESO=C(NC1CCOCC1)C1CCSCC1
InChIInChI=1S/C11H19NO2S/c13-11(9-3-7-15-8-4-9)12-10-1-5-14-6-2-10/h9-10H,1-8H2,(H,12,13)
InChIKeyKROHSXDTXGKAML-UHFFFAOYSA-N
XLogP1.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)thiane-4-carboxamide?
The IUPAC name of N-(oxan-4-yl)thiane-4-carboxamide (CID 171577314) is N-(oxan-4-yl)thiane-4-carboxamide.
What is the SMILES notation for N-(oxan-4-yl)thiane-4-carboxamide?
The canonical SMILES for N-(oxan-4-yl)thiane-4-carboxamide is O=C(NC1CCOCC1)C1CCSCC1.
What is the InChIKey of N-(oxan-4-yl)thiane-4-carboxamide?
The InChIKey is KROHSXDTXGKAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2S/c13-11(9-3-7-15-8-4-9)12-10-1-5-14-6-2-10/h9-10H,1-8H2,(H,12,13).
What are the key properties of N-(oxan-4-yl)thiane-4-carboxamide?
N-(oxan-4-yl)thiane-4-carboxamide has a molecular weight of 229.34 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)thiane-4-carboxamide is sourced from PubChem (CID 171577314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).