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

C15H18N2O2S2 — CID 124874245

IUPACN-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]thiophene-3-carboxamide
SMILESO=C(NC[C@H](c1ccoc1)N1CCSCC1)c1ccsc1
InChIInChI=1S/C15H18N2O2S2/c18-15(13-2-6-21-11-13)16-9-14(12-1-5-19-10-12)17-3-7-20-8-4-17/h1-2,5-6,10-11,14H,3-4,7-9H2,(H,16,18)/t14-/m1/s1
InChIKeyDFRJSRXKKJADQL-CQSZACIVSA-N
MW322.45 g/mol
LogP2.86
Rot. Bonds5

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

N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]thiophene-3-carboxamide (PubChem CID 124874245) has the molecular formula C15H18N2O2S2 and a molecular weight of 322.45 g/mol. Its IUPAC name is N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]thiophene-3-carboxamide
PubChem CID124874245
Molecular FormulaC15H18N2O2S2
Molecular Weight322.45 g/mol
Exact Mass322.08
IUPAC NameN-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]thiophene-3-carboxamide
SMILESO=C(NC[C@H](c1ccoc1)N1CCSCC1)c1ccsc1
InChIInChI=1S/C15H18N2O2S2/c18-15(13-2-6-21-11-13)16-9-14(12-1-5-19-10-12)17-3-7-20-8-4-17/h1-2,5-6,10-11,14H,3-4,7-9H2,(H,16,18)/t14-/m1/s1
InChIKeyDFRJSRXKKJADQL-CQSZACIVSA-N
XLogP2.86
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]acetamide
CID 124878348
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]-3-methoxybenzamide
CID 124875456
N-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]-2,5-dimethylfuran-3-carboxamide
CID 124760721
N'-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]-N-(2-methoxyethyl)oxamide
CID 124878570
N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]-2-oxoimidazolidine-1-carboxamide
CID 124874264
(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-[(4-chlorophenyl)methyl]-N'-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]oxamide
CID 124873494
N-[(4-fluorophenyl)methyl]-N'-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]oxamide
CID 124875632
3-(benzenesulfonyl)-N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]propanamide
CID 124727763
N-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]benzamide
CID 30605183

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]thiophene-3-carboxamide?
The IUPAC name of N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]thiophene-3-carboxamide (CID 124874245) is N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]thiophene-3-carboxamide?
The canonical SMILES for N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]thiophene-3-carboxamide is O=C(NC[C@H](c1ccoc1)N1CCSCC1)c1ccsc1.
What is the InChIKey of N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]thiophene-3-carboxamide?
The InChIKey is DFRJSRXKKJADQL-CQSZACIVSA-N. The full InChI is InChI=1S/C15H18N2O2S2/c18-15(13-2-6-21-11-13)16-9-14(12-1-5-19-10-12)17-3-7-20-8-4-17/h1-2,5-6,10-11,14H,3-4,7-9H2,(H,16,18)/t14-/m1/s1.
What are the key properties of N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]thiophene-3-carboxamide?
N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]thiophene-3-carboxamide has a molecular weight of 322.45 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]thiophene-3-carboxamide is sourced from PubChem (CID 124874245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).