(2S)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-2-thiophen-3-ylpyrrolidine-1-carboxamide

C16H25N3O2S — CID 94102635

IUPAC(2S)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-2-thiophen-3-ylpyrrolidine-1-carboxamide
SMILESC[C@H](CN1CCOCC1)NC(=O)N1CCC[C@H]1c1ccsc1
InChIInChI=1S/C16H25N3O2S/c1-13(11-18-6-8-21-9-7-18)17-16(20)19-5-2-3-15(19)14-4-10-22-12-14/h4,10,12-13,15H,2-3,5-9,11H2,1H3,(H,17,20)/t13-,15+/m1/s1
InChIKeyPNOANPDKYXCNFW-HIFRSBDPSA-N
MW323.46 g/mol
LogP2.32
Rot. Bonds4

About (2S)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-2-thiophen-3-ylpyrrolidine-1-carboxamide

(2S)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-2-thiophen-3-ylpyrrolidine-1-carboxamide (PubChem CID 94102635) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is (2S)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-2-thiophen-3-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-2-thiophen-3-ylpyrrolidine-1-carboxamide
PubChem CID94102635
Molecular FormulaC16H25N3O2S
Molecular Weight323.46 g/mol
Exact Mass323.17
IUPAC Name(2S)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-2-thiophen-3-ylpyrrolidine-1-carboxamide
SMILESC[C@H](CN1CCOCC1)NC(=O)N1CCC[C@H]1c1ccsc1
InChIInChI=1S/C16H25N3O2S/c1-13(11-18-6-8-21-9-7-18)17-16(20)19-5-2-3-15(19)14-4-10-22-12-14/h4,10,12-13,15H,2-3,5-9,11H2,1H3,(H,17,20)/t13-,15+/m1/s1
InChIKeyPNOANPDKYXCNFW-HIFRSBDPSA-N
XLogP2.32
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[(2S)-1-methoxypropan-2-yl]-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 97311685
(2S)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 100836452
1-morpholin-4-yl-4-(2-thiophen-3-ylpyrrolidin-1-yl)butane-1,4-dione
CID 47036037
2-(butan-2-ylamino)-1-(2-thiophen-3-ylpyrrolidin-1-yl)ethanone
CID 54871562
cyclopropyl-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 94117667
4-methyl-1-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]pentan-1-one
CID 51948019
(2S)-N-(2-oxo-2-piperidin-1-ylethyl)-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 94103812
1-(2-thiophen-3-ylpiperidin-1-yl)ethanone
CID 102544384
(2R)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 94053971
N-(5-chloro-2-morpholin-4-ylphenyl)-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 55702129
3-[(2-thiophen-3-ylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 122019398
(2S)-N-[(4-hydroxyphenyl)methyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 94054166

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-2-thiophen-3-ylpyrrolidine-1-carboxamide?
The IUPAC name of (2S)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-2-thiophen-3-ylpyrrolidine-1-carboxamide (CID 94102635) is (2S)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-2-thiophen-3-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-2-thiophen-3-ylpyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-2-thiophen-3-ylpyrrolidine-1-carboxamide is C[C@H](CN1CCOCC1)NC(=O)N1CCC[C@H]1c1ccsc1.
What is the InChIKey of (2S)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-2-thiophen-3-ylpyrrolidine-1-carboxamide?
The InChIKey is PNOANPDKYXCNFW-HIFRSBDPSA-N. The full InChI is InChI=1S/C16H25N3O2S/c1-13(11-18-6-8-21-9-7-18)17-16(20)19-5-2-3-15(19)14-4-10-22-12-14/h4,10,12-13,15H,2-3,5-9,11H2,1H3,(H,17,20)/t13-,15+/m1/s1.
What are the key properties of (2S)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-2-thiophen-3-ylpyrrolidine-1-carboxamide?
(2S)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-2-thiophen-3-ylpyrrolidine-1-carboxamide has a molecular weight of 323.46 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-2-thiophen-3-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 94102635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).