(2S,6R)-2-methyl-N-(1-propan-2-ylpyrazol-4-yl)-6-thiophen-3-ylmorpholine-4-carboxamide

C16H22N4O2S — CID 97093261

IUPAC(2S,6R)-2-methyl-N-(1-propan-2-ylpyrazol-4-yl)-6-thiophen-3-ylmorpholine-4-carboxamide
SMILESCC(C)n1cc(NC(=O)N2C[C@@H](c3ccsc3)O[C@@H](C)C2)cn1
InChIInChI=1S/C16H22N4O2S/c1-11(2)20-8-14(6-17-20)18-16(21)19-7-12(3)22-15(9-19)13-4-5-23-10-13/h4-6,8,10-12,15H,7,9H2,1-3H3,(H,18,21)/t12-,15-/m0/s1
InChIKeyQTMDAXJZIZSABW-WFASDCNBSA-N
MW334.45 g/mol
LogP3.52
Rot. Bonds3

About (2S,6R)-2-methyl-N-(1-propan-2-ylpyrazol-4-yl)-6-thiophen-3-ylmorpholine-4-carboxamide

(2S,6R)-2-methyl-N-(1-propan-2-ylpyrazol-4-yl)-6-thiophen-3-ylmorpholine-4-carboxamide (PubChem CID 97093261) has the molecular formula C16H22N4O2S and a molecular weight of 334.45 g/mol. Its IUPAC name is (2S,6R)-2-methyl-N-(1-propan-2-ylpyrazol-4-yl)-6-thiophen-3-ylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(2S,6R)-2-methyl-N-(1-propan-2-ylpyrazol-4-yl)-6-thiophen-3-ylmorpholine-4-carboxamide
PubChem CID97093261
Molecular FormulaC16H22N4O2S
Molecular Weight334.45 g/mol
Exact Mass334.15
IUPAC Name(2S,6R)-2-methyl-N-(1-propan-2-ylpyrazol-4-yl)-6-thiophen-3-ylmorpholine-4-carboxamide
SMILESCC(C)n1cc(NC(=O)N2C[C@@H](c3ccsc3)O[C@@H](C)C2)cn1
InChIInChI=1S/C16H22N4O2S/c1-11(2)20-8-14(6-17-20)18-16(21)19-7-12(3)22-15(9-19)13-4-5-23-10-13/h4-6,8,10-12,15H,7,9H2,1-3H3,(H,18,21)/t12-,15-/m0/s1
InChIKeyQTMDAXJZIZSABW-WFASDCNBSA-N
XLogP3.52
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S,6R)-2-methyl-N-(1-propan-2-ylpyrazol-4-yl)-6-thiophen-3-ylmorpholine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,6S)-N-(2-cyclopropylpyrimidin-5-yl)-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide
CID 97225798
2-ethyl-6-methyl-N-(1-propan-2-ylpyrazol-4-yl)morpholine-4-carboxamide
CID 71864895
(2S,6R)-N-(1-ethyl-6-oxo-3-pyridinyl)-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide
CID 97060192
(2R,6R)-2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-thiophen-3-ylmorpholine-4-carboxamide
CID 97074965
1-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)ethanone
CID 167980764
(2R,6S)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide
CID 125138480
(2S,6S)-N-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide
CID 100876796
2-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-thiophen-3-ylmorpholine-4-carboxamide
CID 71851940
2-(methylamino)-1-[(2R,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]ethanone
CID 124686454
2-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-6-thiophen-3-ylmorpholine-4-carboxamide
CID 71851920
(2R,6S)-2-methyl-N-(3-pyrazol-1-ylpropyl)-6-thiophen-3-ylmorpholine-4-carboxamide
CID 97093234
2-methyl-N-(pyridin-2-ylmethyl)-6-thiophen-3-ylmorpholine-4-carboxamide
CID 71919519

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2-methyl-N-(1-propan-2-ylpyrazol-4-yl)-6-thiophen-3-ylmorpholine-4-carboxamide?
The IUPAC name of (2S,6R)-2-methyl-N-(1-propan-2-ylpyrazol-4-yl)-6-thiophen-3-ylmorpholine-4-carboxamide (CID 97093261) is (2S,6R)-2-methyl-N-(1-propan-2-ylpyrazol-4-yl)-6-thiophen-3-ylmorpholine-4-carboxamide.
What is the SMILES notation for (2S,6R)-2-methyl-N-(1-propan-2-ylpyrazol-4-yl)-6-thiophen-3-ylmorpholine-4-carboxamide?
The canonical SMILES for (2S,6R)-2-methyl-N-(1-propan-2-ylpyrazol-4-yl)-6-thiophen-3-ylmorpholine-4-carboxamide is CC(C)n1cc(NC(=O)N2C[C@@H](c3ccsc3)O[C@@H](C)C2)cn1.
What is the InChIKey of (2S,6R)-2-methyl-N-(1-propan-2-ylpyrazol-4-yl)-6-thiophen-3-ylmorpholine-4-carboxamide?
The InChIKey is QTMDAXJZIZSABW-WFASDCNBSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-11(2)20-8-14(6-17-20)18-16(21)19-7-12(3)22-15(9-19)13-4-5-23-10-13/h4-6,8,10-12,15H,7,9H2,1-3H3,(H,18,21)/t12-,15-/m0/s1.
What are the key properties of (2S,6R)-2-methyl-N-(1-propan-2-ylpyrazol-4-yl)-6-thiophen-3-ylmorpholine-4-carboxamide?
(2S,6R)-2-methyl-N-(1-propan-2-ylpyrazol-4-yl)-6-thiophen-3-ylmorpholine-4-carboxamide has a molecular weight of 334.45 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2-methyl-N-(1-propan-2-ylpyrazol-4-yl)-6-thiophen-3-ylmorpholine-4-carboxamide is sourced from PubChem (CID 97093261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).