(2R)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide

C17H27N3O2S — CID 94053971

IUPAC(2R)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide
SMILESC[C@@H]1CN(CCNC(=O)N2CCC[C@@H]2c2ccsc2)C[C@@H](C)O1
InChIInChI=1S/C17H27N3O2S/c1-13-10-19(11-14(2)22-13)8-6-18-17(21)20-7-3-4-16(20)15-5-9-23-12-15/h5,9,12-14,16H,3-4,6-8,10-11H2,1-2H3,(H,18,21)/t13-,14-,16-/m1/s1
InChIKeyBQHCQZCOVJDYHX-IIAWOOMASA-N
MW337.49 g/mol
LogP2.70
Rot. Bonds4

About (2R)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide

(2R)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide (PubChem CID 94053971) has the molecular formula C17H27N3O2S and a molecular weight of 337.49 g/mol. Its IUPAC name is (2R)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide
PubChem CID94053971
Molecular FormulaC17H27N3O2S
Molecular Weight337.49 g/mol
Exact Mass337.18
IUPAC Name(2R)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide
SMILESC[C@@H]1CN(CCNC(=O)N2CCC[C@@H]2c2ccsc2)C[C@@H](C)O1
InChIInChI=1S/C17H27N3O2S/c1-13-10-19(11-14(2)22-13)8-6-18-17(21)20-7-3-4-16(20)15-5-9-23-12-15/h5,9,12-14,16H,3-4,6-8,10-11H2,1-2H3,(H,18,21)/t13-,14-,16-/m1/s1
InChIKeyBQHCQZCOVJDYHX-IIAWOOMASA-N
XLogP2.70
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide with MolForge

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Related Compounds

3-[(2-thiophen-3-ylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 122019398
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N-[3-oxo-3-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]propyl]methanesulfonamide
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(2R)-N-[(2S)-1-methoxypropan-2-yl]-2-thiophen-3-ylpyrrolidine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide?
The IUPAC name of (2R)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide (CID 94053971) is (2R)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide is C[C@@H]1CN(CCNC(=O)N2CCC[C@@H]2c2ccsc2)C[C@@H](C)O1.
What is the InChIKey of (2R)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide?
The InChIKey is BQHCQZCOVJDYHX-IIAWOOMASA-N. The full InChI is InChI=1S/C17H27N3O2S/c1-13-10-19(11-14(2)22-13)8-6-18-17(21)20-7-3-4-16(20)15-5-9-23-12-15/h5,9,12-14,16H,3-4,6-8,10-11H2,1-2H3,(H,18,21)/t13-,14-,16-/m1/s1.
What are the key properties of (2R)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide?
(2R)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide has a molecular weight of 337.49 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 94053971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).