(3R)-N-ethyl-3-(5-methylfuran-2-yl)thiomorpholine-4-carboxamide

C12H18N2O2S — CID 96517564

IUPAC(3R)-N-ethyl-3-(5-methylfuran-2-yl)thiomorpholine-4-carboxamide
SMILESCCNC(=O)N1CCSC[C@H]1c1ccc(C)o1
InChIInChI=1S/C12H18N2O2S/c1-3-13-12(15)14-6-7-17-8-10(14)11-5-4-9(2)16-11/h4-5,10H,3,6-8H2,1-2H3,(H,13,15)/t10-/m0/s1
InChIKeySMBOLWIKTOAKPY-JTQLQIEISA-N
MW254.35 g/mol
LogP2.41
Rot. Bonds2

About (3R)-N-ethyl-3-(5-methylfuran-2-yl)thiomorpholine-4-carboxamide

(3R)-N-ethyl-3-(5-methylfuran-2-yl)thiomorpholine-4-carboxamide (PubChem CID 96517564) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is (3R)-N-ethyl-3-(5-methylfuran-2-yl)thiomorpholine-4-carboxamide.

Molecular Properties

Compound Name(3R)-N-ethyl-3-(5-methylfuran-2-yl)thiomorpholine-4-carboxamide
PubChem CID96517564
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name(3R)-N-ethyl-3-(5-methylfuran-2-yl)thiomorpholine-4-carboxamide
SMILESCCNC(=O)N1CCSC[C@H]1c1ccc(C)o1
InChIInChI=1S/C12H18N2O2S/c1-3-13-12(15)14-6-7-17-8-10(14)11-5-4-9(2)16-11/h4-5,10H,3,6-8H2,1-2H3,(H,13,15)/t10-/m0/s1
InChIKeySMBOLWIKTOAKPY-JTQLQIEISA-N
XLogP2.41
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(3S)-3-(5-methylfuran-2-yl)thiomorpholin-4-yl]-4-oxobutyl]cyclopropanecarboxamide
CID 96568744
2-(2H-indazol-3-yl)-1-[(3R)-3-(5-methylfuran-2-yl)thiomorpholin-4-yl]ethanone
CID 96517769
1-[(3S)-3-(5-methylfuran-2-yl)thiomorpholin-4-yl]-2-(2-nitrophenyl)ethanone
CID 96568702
1-[(3R)-3-(5-methylfuran-2-yl)thiomorpholin-4-yl]-3-pyridin-3-ylpropan-1-one
CID 96517758
N-[2-[[3-(5-methylfuran-2-yl)thiomorpholin-4-yl]methyl]phenyl]acetamide
CID 84593620
N-[4-hydroxy-3-[3-(5-methylfuran-2-yl)thiomorpholine-4-carbonyl]phenyl]prop-2-enamide
CID 167808884
1-[2-(5-methylfuran-2-yl)-1,3-thiazolidin-3-yl]ethanone
CID 42781148
5-[[(3R)-3-(5-methylfuran-2-yl)thiomorpholin-4-yl]methyl]furan-2-carbonitrile
CID 97160353
3-(5-methylfuran-2-yl)-N-(4-propyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 86799955
(3R)-N-[(2S)-2-methoxy-2-phenylethyl]-3-(5-methylfuran-2-yl)morpholine-4-carboxamide
CID 97071356
4-methyl-2-(5-methylfuran-2-yl)-N-[(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide
CID 71925660
(2S)-N-[2-(dimethylamino)pyrimidin-5-yl]-2-(5-methylfuran-2-yl)piperidine-1-carboxamide
CID 99581240

Frequently Asked Questions

What is the IUPAC name of (3R)-N-ethyl-3-(5-methylfuran-2-yl)thiomorpholine-4-carboxamide?
The IUPAC name of (3R)-N-ethyl-3-(5-methylfuran-2-yl)thiomorpholine-4-carboxamide (CID 96517564) is (3R)-N-ethyl-3-(5-methylfuran-2-yl)thiomorpholine-4-carboxamide.
What is the SMILES notation for (3R)-N-ethyl-3-(5-methylfuran-2-yl)thiomorpholine-4-carboxamide?
The canonical SMILES for (3R)-N-ethyl-3-(5-methylfuran-2-yl)thiomorpholine-4-carboxamide is CCNC(=O)N1CCSC[C@H]1c1ccc(C)o1.
What is the InChIKey of (3R)-N-ethyl-3-(5-methylfuran-2-yl)thiomorpholine-4-carboxamide?
The InChIKey is SMBOLWIKTOAKPY-JTQLQIEISA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-3-13-12(15)14-6-7-17-8-10(14)11-5-4-9(2)16-11/h4-5,10H,3,6-8H2,1-2H3,(H,13,15)/t10-/m0/s1.
What are the key properties of (3R)-N-ethyl-3-(5-methylfuran-2-yl)thiomorpholine-4-carboxamide?
(3R)-N-ethyl-3-(5-methylfuran-2-yl)thiomorpholine-4-carboxamide has a molecular weight of 254.35 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-ethyl-3-(5-methylfuran-2-yl)thiomorpholine-4-carboxamide is sourced from PubChem (CID 96517564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).