(2R,6S)-2-methyl-N-(3-pyrazol-1-ylpropyl)-6-thiophen-3-ylmorpholine-4-carboxamide

C16H22N4O2S — CID 97093234

IUPAC(2R,6S)-2-methyl-N-(3-pyrazol-1-ylpropyl)-6-thiophen-3-ylmorpholine-4-carboxamide
SMILESC[C@@H]1CN(C(=O)NCCCn2cccn2)C[C@H](c2ccsc2)O1
InChIInChI=1S/C16H22N4O2S/c1-13-10-19(11-15(22-13)14-4-9-23-12-14)16(21)17-5-2-7-20-8-3-6-18-20/h3-4,6,8-9,12-13,15H,2,5,7,10-11H2,1H3,(H,17,21)/t13-,15-/m1/s1
InChIKeyAZKBGGGXQKPRJY-UKRRQHHQSA-N
MW334.45 g/mol
LogP2.51
Rot. Bonds5

About (2R,6S)-2-methyl-N-(3-pyrazol-1-ylpropyl)-6-thiophen-3-ylmorpholine-4-carboxamide

(2R,6S)-2-methyl-N-(3-pyrazol-1-ylpropyl)-6-thiophen-3-ylmorpholine-4-carboxamide (PubChem CID 97093234) has the molecular formula C16H22N4O2S and a molecular weight of 334.45 g/mol. Its IUPAC name is (2R,6S)-2-methyl-N-(3-pyrazol-1-ylpropyl)-6-thiophen-3-ylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(2R,6S)-2-methyl-N-(3-pyrazol-1-ylpropyl)-6-thiophen-3-ylmorpholine-4-carboxamide
PubChem CID97093234
Molecular FormulaC16H22N4O2S
Molecular Weight334.45 g/mol
Exact Mass334.15
IUPAC Name(2R,6S)-2-methyl-N-(3-pyrazol-1-ylpropyl)-6-thiophen-3-ylmorpholine-4-carboxamide
SMILESC[C@@H]1CN(C(=O)NCCCn2cccn2)C[C@H](c2ccsc2)O1
InChIInChI=1S/C16H22N4O2S/c1-13-10-19(11-15(22-13)14-4-9-23-12-14)16(21)17-5-2-7-20-8-3-6-18-20/h3-4,6,8-9,12-13,15H,2,5,7,10-11H2,1H3,(H,17,21)/t13-,15-/m1/s1
InChIKeyAZKBGGGXQKPRJY-UKRRQHHQSA-N
XLogP2.51
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-thiophen-3-ylmorpholine-4-carboxamide
CID 71851940
(2S,6S)-N-(5-hydroxy-4,4-dimethylpentyl)-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide
CID 97093223
2-methyl-N-(pyridin-2-ylmethyl)-6-thiophen-3-ylmorpholine-4-carboxamide
CID 71919519
N-(furan-2-ylmethyl)-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide
CID 71919520
(2R)-N-(3-pyrazol-1-ylpropyl)-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 94030715
(2S,6R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide
CID 97320853
2-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-6-thiophen-3-ylmorpholine-4-carboxamide
CID 71851920
(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
2-(methylamino)-1-[(2R,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]ethanone
CID 124686454
(2S,6R)-2-methyl-N-(1-propan-2-ylpyrazol-4-yl)-6-thiophen-3-ylmorpholine-4-carboxamide
CID 97093261
2-methyl-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-6-thiophen-3-ylmorpholine-4-carboxamide
CID 136514767

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-2-methyl-N-(3-pyrazol-1-ylpropyl)-6-thiophen-3-ylmorpholine-4-carboxamide?
The IUPAC name of (2R,6S)-2-methyl-N-(3-pyrazol-1-ylpropyl)-6-thiophen-3-ylmorpholine-4-carboxamide (CID 97093234) is (2R,6S)-2-methyl-N-(3-pyrazol-1-ylpropyl)-6-thiophen-3-ylmorpholine-4-carboxamide.
What is the SMILES notation for (2R,6S)-2-methyl-N-(3-pyrazol-1-ylpropyl)-6-thiophen-3-ylmorpholine-4-carboxamide?
The canonical SMILES for (2R,6S)-2-methyl-N-(3-pyrazol-1-ylpropyl)-6-thiophen-3-ylmorpholine-4-carboxamide is C[C@@H]1CN(C(=O)NCCCn2cccn2)C[C@H](c2ccsc2)O1.
What is the InChIKey of (2R,6S)-2-methyl-N-(3-pyrazol-1-ylpropyl)-6-thiophen-3-ylmorpholine-4-carboxamide?
The InChIKey is AZKBGGGXQKPRJY-UKRRQHHQSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-13-10-19(11-15(22-13)14-4-9-23-12-14)16(21)17-5-2-7-20-8-3-6-18-20/h3-4,6,8-9,12-13,15H,2,5,7,10-11H2,1H3,(H,17,21)/t13-,15-/m1/s1.
What are the key properties of (2R,6S)-2-methyl-N-(3-pyrazol-1-ylpropyl)-6-thiophen-3-ylmorpholine-4-carboxamide?
(2R,6S)-2-methyl-N-(3-pyrazol-1-ylpropyl)-6-thiophen-3-ylmorpholine-4-carboxamide has a molecular weight of 334.45 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-2-methyl-N-(3-pyrazol-1-ylpropyl)-6-thiophen-3-ylmorpholine-4-carboxamide is sourced from PubChem (CID 97093234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).