N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]acetamide

C12H18N2O2S — CID 124878348

IUPACN-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]acetamide
SMILESCC(=O)NC[C@H](c1ccoc1)N1CCSCC1
InChIInChI=1S/C12H18N2O2S/c1-10(15)13-8-12(11-2-5-16-9-11)14-3-6-17-7-4-14/h2,5,9,12H,3-4,6-8H2,1H3,(H,13,15)/t12-/m1/s1
InChIKeyXNQGQEXIBRXAKJ-GFCCVEGCSA-N
MW254.35 g/mol
LogP1.51
Rot. Bonds4

About N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]acetamide

N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]acetamide (PubChem CID 124878348) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]acetamide.

Molecular Properties

Compound NameN-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]acetamide
PubChem CID124878348
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC NameN-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]acetamide
SMILESCC(=O)NC[C@H](c1ccoc1)N1CCSCC1
InChIInChI=1S/C12H18N2O2S/c1-10(15)13-8-12(11-2-5-16-9-11)14-3-6-17-7-4-14/h2,5,9,12H,3-4,6-8H2,1H3,(H,13,15)/t12-/m1/s1
InChIKeyXNQGQEXIBRXAKJ-GFCCVEGCSA-N
XLogP1.51
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]-N-(2-methoxyethyl)oxamide
CID 124878570
N-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]furan-2-carboxamide
CID 124760075
N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]-2-oxoimidazolidine-1-carboxamide
CID 124874264
N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]thiophene-3-carboxamide
CID 124874245
(E)-3-(furan-3-yl)-N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]prop-2-enamide
CID 124760459
N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]oxane-4-carboxamide
CID 124878531
N-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]-2,5-dimethylfuran-3-carboxamide
CID 124760721
3-(benzenesulfonyl)-N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]propanamide
CID 124727763
N-[(4-fluorophenyl)methyl]-N'-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]oxamide
CID 124875632
N-[(4-chlorophenyl)methyl]-N'-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]oxamide
CID 124873494
N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]-3-methoxybenzamide
CID 124875456
1-(4-butoxyphenyl)-3-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]urea
CID 124878555

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]acetamide?
The IUPAC name of N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]acetamide (CID 124878348) is N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]acetamide.
What is the SMILES notation for N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]acetamide?
The canonical SMILES for N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]acetamide is CC(=O)NC[C@H](c1ccoc1)N1CCSCC1.
What is the InChIKey of N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]acetamide?
The InChIKey is XNQGQEXIBRXAKJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-10(15)13-8-12(11-2-5-16-9-11)14-3-6-17-7-4-14/h2,5,9,12H,3-4,6-8H2,1H3,(H,13,15)/t12-/m1/s1.
What are the key properties of N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]acetamide?
N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]acetamide has a molecular weight of 254.35 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]acetamide is sourced from PubChem (CID 124878348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).