(2S)-2-[(2S)-oxolan-2-yl]-N-[(1S)-1-thiophen-2-ylpropyl]morpholine-4-carboxamide

C16H24N2O3S — CID 97096465

IUPAC(2S)-2-[(2S)-oxolan-2-yl]-N-[(1S)-1-thiophen-2-ylpropyl]morpholine-4-carboxamide
SMILESCC[C@H](NC(=O)N1CCO[C@H]([C@@H]2CCCO2)C1)c1cccs1
InChIInChI=1S/C16H24N2O3S/c1-2-12(15-6-4-10-22-15)17-16(19)18-7-9-21-14(11-18)13-5-3-8-20-13/h4,6,10,12-14H,2-3,5,7-9,11H2,1H3,(H,17,19)/t12-,13-,14-/m0/s1
InChIKeyVPVREYJTRAEWSK-IHRRRGAJSA-N
MW324.45 g/mol
LogP2.79
Rot. Bonds4

About (2S)-2-[(2S)-oxolan-2-yl]-N-[(1S)-1-thiophen-2-ylpropyl]morpholine-4-carboxamide

(2S)-2-[(2S)-oxolan-2-yl]-N-[(1S)-1-thiophen-2-ylpropyl]morpholine-4-carboxamide (PubChem CID 97096465) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is (2S)-2-[(2S)-oxolan-2-yl]-N-[(1S)-1-thiophen-2-ylpropyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(2S)-2-[(2S)-oxolan-2-yl]-N-[(1S)-1-thiophen-2-ylpropyl]morpholine-4-carboxamide
PubChem CID97096465
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name(2S)-2-[(2S)-oxolan-2-yl]-N-[(1S)-1-thiophen-2-ylpropyl]morpholine-4-carboxamide
SMILESCC[C@H](NC(=O)N1CCO[C@H]([C@@H]2CCCO2)C1)c1cccs1
InChIInChI=1S/C16H24N2O3S/c1-2-12(15-6-4-10-22-15)17-16(19)18-7-9-21-14(11-18)13-5-3-8-20-13/h4,6,10,12-14H,2-3,5,7-9,11H2,1H3,(H,17,19)/t12-,13-,14-/m0/s1
InChIKeyVPVREYJTRAEWSK-IHRRRGAJSA-N
XLogP2.79
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-(1-thiophen-2-ylpropyl)piperidine-1-carboxamide
CID 60547129
2-thiophen-3-yl-N-(1-thiophen-2-ylpropyl)morpholine-4-carboxamide
CID 75379628
4-(oxan-4-yl)-N-[(1R)-1-thiophen-2-ylpropyl]piperazine-1-carboxamide
CID 124608917
3-piperidin-1-yl-N-[(1S)-1-thiophen-2-ylpropyl]azetidine-1-carboxamide
CID 126425885
4-(2-methylpyrazol-3-yl)-N-[(1S)-1-thiophen-2-ylpropyl]piperidine-1-carboxamide
CID 124607053
4-(1H-imidazol-5-yl)-N-[(1S)-1-thiophen-2-ylpropyl]piperidine-1-carboxamide
CID 124890430
(3R,4R)-3-methoxy-4-methyl-N-[(1S)-1-thiophen-2-ylpropyl]piperidine-1-carboxamide
CID 129431123
4-pyrimidin-2-yl-N-(1-thiophen-2-ylpropyl)piperazine-1-carboxamide
CID 60547485
3-N-(1,3-thiazol-2-yl)-1-N-(1-thiophen-2-ylpropyl)piperidine-1,3-dicarboxamide
CID 55931373
2-[4-(1-thiophen-2-ylethylcarbamoyl)morpholin-2-yl]acetic acid
CID 66436008
4-(1-hydroxyethyl)-N-(3-methyl-1-thiophen-2-ylbutyl)piperidine-1-carboxamide
CID 111438385
2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carbonylamino)-2-thiophen-2-ylacetic acid
CID 115285427

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2S)-oxolan-2-yl]-N-[(1S)-1-thiophen-2-ylpropyl]morpholine-4-carboxamide?
The IUPAC name of (2S)-2-[(2S)-oxolan-2-yl]-N-[(1S)-1-thiophen-2-ylpropyl]morpholine-4-carboxamide (CID 97096465) is (2S)-2-[(2S)-oxolan-2-yl]-N-[(1S)-1-thiophen-2-ylpropyl]morpholine-4-carboxamide.
What is the SMILES notation for (2S)-2-[(2S)-oxolan-2-yl]-N-[(1S)-1-thiophen-2-ylpropyl]morpholine-4-carboxamide?
The canonical SMILES for (2S)-2-[(2S)-oxolan-2-yl]-N-[(1S)-1-thiophen-2-ylpropyl]morpholine-4-carboxamide is CC[C@H](NC(=O)N1CCO[C@H]([C@@H]2CCCO2)C1)c1cccs1.
What is the InChIKey of (2S)-2-[(2S)-oxolan-2-yl]-N-[(1S)-1-thiophen-2-ylpropyl]morpholine-4-carboxamide?
The InChIKey is VPVREYJTRAEWSK-IHRRRGAJSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-2-12(15-6-4-10-22-15)17-16(19)18-7-9-21-14(11-18)13-5-3-8-20-13/h4,6,10,12-14H,2-3,5,7-9,11H2,1H3,(H,17,19)/t12-,13-,14-/m0/s1.
What are the key properties of (2S)-2-[(2S)-oxolan-2-yl]-N-[(1S)-1-thiophen-2-ylpropyl]morpholine-4-carboxamide?
(2S)-2-[(2S)-oxolan-2-yl]-N-[(1S)-1-thiophen-2-ylpropyl]morpholine-4-carboxamide has a molecular weight of 324.45 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2S)-oxolan-2-yl]-N-[(1S)-1-thiophen-2-ylpropyl]morpholine-4-carboxamide is sourced from PubChem (CID 97096465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).