(3R)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-1,1-dioxothiolane-3-carboxamide

C15H22N2O4S2 — CID 30468496

IUPAC(3R)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-1,1-dioxothiolane-3-carboxamide
SMILESO=C(NC[C@@H](c1cccs1)N1CCOCC1)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C15H22N2O4S2/c18-15(12-3-9-23(19,20)11-12)16-10-13(14-2-1-8-22-14)17-4-6-21-7-5-17/h1-2,8,12-13H,3-7,9-11H2,(H,16,18)/t12-,13-/m0/s1
InChIKeyJTTIDSKNFCKHIV-STQMWFEESA-N
MW358.49 g/mol
LogP0.67
Rot. Bonds5

About (3R)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-1,1-dioxothiolane-3-carboxamide

(3R)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-1,1-dioxothiolane-3-carboxamide (PubChem CID 30468496) has the molecular formula C15H22N2O4S2 and a molecular weight of 358.49 g/mol. Its IUPAC name is (3R)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-1,1-dioxothiolane-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-1,1-dioxothiolane-3-carboxamide
PubChem CID30468496
Molecular FormulaC15H22N2O4S2
Molecular Weight358.49 g/mol
Exact Mass358.10
IUPAC Name(3R)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-1,1-dioxothiolane-3-carboxamide
SMILESO=C(NC[C@@H](c1cccs1)N1CCOCC1)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C15H22N2O4S2/c18-15(12-3-9-23(19,20)11-12)16-10-13(14-2-1-8-22-14)17-4-6-21-7-5-17/h1-2,8,12-13H,3-7,9-11H2,(H,16,18)/t12-,13-/m0/s1
InChIKeyJTTIDSKNFCKHIV-STQMWFEESA-N
XLogP0.67
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-1,1-dioxothiolane-3-carboxamide with MolForge

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Related Compounds

N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)spiro[2.5]octane-7-carboxamide
CID 154865751
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)piperidine-3-carboxamide
CID 119829137
N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]pyrrolidine-1-carboxamide
CID 94494130
(2S,4S)-2-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 120631423
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1,1-dioxothiolane-3-carboxamide
CID 134057186
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyridine-4-carboxamide
CID 47007223
2-amino-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-(oxan-4-yl)acetamide
CID 120796894
1-amino-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)cyclopropane-1-carboxamide
CID 65464082
N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]prop-2-enamide
CID 7713761
(1R)-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 39982815
N-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]morpholine-4-carboxamide
CID 93159855
2-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 43042508

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-1,1-dioxothiolane-3-carboxamide?
The IUPAC name of (3R)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-1,1-dioxothiolane-3-carboxamide (CID 30468496) is (3R)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-1,1-dioxothiolane-3-carboxamide.
What is the SMILES notation for (3R)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-1,1-dioxothiolane-3-carboxamide?
The canonical SMILES for (3R)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-1,1-dioxothiolane-3-carboxamide is O=C(NC[C@@H](c1cccs1)N1CCOCC1)[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of (3R)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-1,1-dioxothiolane-3-carboxamide?
The InChIKey is JTTIDSKNFCKHIV-STQMWFEESA-N. The full InChI is InChI=1S/C15H22N2O4S2/c18-15(12-3-9-23(19,20)11-12)16-10-13(14-2-1-8-22-14)17-4-6-21-7-5-17/h1-2,8,12-13H,3-7,9-11H2,(H,16,18)/t12-,13-/m0/s1.
What are the key properties of (3R)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-1,1-dioxothiolane-3-carboxamide?
(3R)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-1,1-dioxothiolane-3-carboxamide has a molecular weight of 358.49 g/mol, XLogP of 0.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-1,1-dioxothiolane-3-carboxamide is sourced from PubChem (CID 30468496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).