N-[1-(oxolan-2-yl)ethyl]thiomorpholine-3-carboxamide

C11H20N2O2S — CID 82905786

IUPACN-[1-(oxolan-2-yl)ethyl]thiomorpholine-3-carboxamide
SMILESCC(NC(=O)C1CSCCN1)C1CCCO1
InChIInChI=1S/C11H20N2O2S/c1-8(10-3-2-5-15-10)13-11(14)9-7-16-6-4-12-9/h8-10,12H,2-7H2,1H3,(H,13,14)
InChIKeyAYIVBSXIBMUMAW-UHFFFAOYSA-N
MW244.36 g/mol
LogP0.38
Rot. Bonds3

About N-[1-(oxolan-2-yl)ethyl]thiomorpholine-3-carboxamide

N-[1-(oxolan-2-yl)ethyl]thiomorpholine-3-carboxamide (PubChem CID 82905786) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is N-[1-(oxolan-2-yl)ethyl]thiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(oxolan-2-yl)ethyl]thiomorpholine-3-carboxamide
PubChem CID82905786
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC NameN-[1-(oxolan-2-yl)ethyl]thiomorpholine-3-carboxamide
SMILESCC(NC(=O)C1CSCCN1)C1CCCO1
InChIInChI=1S/C11H20N2O2S/c1-8(10-3-2-5-15-10)13-11(14)9-7-16-6-4-12-9/h8-10,12H,2-7H2,1H3,(H,13,14)
InChIKeyAYIVBSXIBMUMAW-UHFFFAOYSA-N
XLogP0.38
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(oxolan-2-yl)ethyl]azepane-2-carboxamide
CID 64563784
N-[1-(oxolan-2-yl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119292164
N-[(1S)-1-cyclohexylethyl]thiomorpholine-3-carboxamide
CID 82918098
N-[1-(oxolan-2-yl)ethyl]cyclopropanecarboxamide
CID 17330465
2-methyl-N-[1-(oxolan-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 79389054
N-(3-methylbutan-2-yl)thiomorpholine-3-carboxamide
CID 82905472
(2S,4S)-2-methyl-N-[1-(oxolan-2-yl)ethyl]piperidine-4-carboxamide
CID 120623026
N-[1-(oxolan-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 71895287
N-pentan-2-ylthiomorpholine-3-carboxamide
CID 82906662
N-(3-ethylpentan-2-yl)thiomorpholine-3-carboxamide
CID 82916572
(1S,2S,3R,4R)-3-[[(1S)-1-[(2R)-oxolan-2-yl]ethyl]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 11895759
2-(3-methylpiperidin-2-yl)-N-[1-(oxolan-2-yl)ethyl]acetamide
CID 107147559

Frequently Asked Questions

What is the IUPAC name of N-[1-(oxolan-2-yl)ethyl]thiomorpholine-3-carboxamide?
The IUPAC name of N-[1-(oxolan-2-yl)ethyl]thiomorpholine-3-carboxamide (CID 82905786) is N-[1-(oxolan-2-yl)ethyl]thiomorpholine-3-carboxamide.
What is the SMILES notation for N-[1-(oxolan-2-yl)ethyl]thiomorpholine-3-carboxamide?
The canonical SMILES for N-[1-(oxolan-2-yl)ethyl]thiomorpholine-3-carboxamide is CC(NC(=O)C1CSCCN1)C1CCCO1.
What is the InChIKey of N-[1-(oxolan-2-yl)ethyl]thiomorpholine-3-carboxamide?
The InChIKey is AYIVBSXIBMUMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-8(10-3-2-5-15-10)13-11(14)9-7-16-6-4-12-9/h8-10,12H,2-7H2,1H3,(H,13,14).
What are the key properties of N-[1-(oxolan-2-yl)ethyl]thiomorpholine-3-carboxamide?
N-[1-(oxolan-2-yl)ethyl]thiomorpholine-3-carboxamide has a molecular weight of 244.36 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxolan-2-yl)ethyl]thiomorpholine-3-carboxamide is sourced from PubChem (CID 82905786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).