(2S)-1-(oxan-4-yl)-N-[(2S)-1-thiophen-2-ylpropan-2-yl]pyrrolidine-2-carboxamide

C17H26N2O2S — CID 124591408

IUPAC(2S)-1-(oxan-4-yl)-N-[(2S)-1-thiophen-2-ylpropan-2-yl]pyrrolidine-2-carboxamide
SMILESC[C@@H](Cc1cccs1)NC(=O)[C@@H]1CCCN1C1CCOCC1
InChIInChI=1S/C17H26N2O2S/c1-13(12-15-4-3-11-22-15)18-17(20)16-5-2-8-19(16)14-6-9-21-10-7-14/h3-4,11,13-14,16H,2,5-10,12H2,1H3,(H,18,20)/t13-,16-/m0/s1
InChIKeyXBXYIVDLEILZAI-BBRMVZONSA-N
MW322.47 g/mol
LogP2.44
Rot. Bonds5

About (2S)-1-(oxan-4-yl)-N-[(2S)-1-thiophen-2-ylpropan-2-yl]pyrrolidine-2-carboxamide

(2S)-1-(oxan-4-yl)-N-[(2S)-1-thiophen-2-ylpropan-2-yl]pyrrolidine-2-carboxamide (PubChem CID 124591408) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is (2S)-1-(oxan-4-yl)-N-[(2S)-1-thiophen-2-ylpropan-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(oxan-4-yl)-N-[(2S)-1-thiophen-2-ylpropan-2-yl]pyrrolidine-2-carboxamide
PubChem CID124591408
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC Name(2S)-1-(oxan-4-yl)-N-[(2S)-1-thiophen-2-ylpropan-2-yl]pyrrolidine-2-carboxamide
SMILESC[C@@H](Cc1cccs1)NC(=O)[C@@H]1CCCN1C1CCOCC1
InChIInChI=1S/C17H26N2O2S/c1-13(12-15-4-3-11-22-15)18-17(20)16-5-2-8-19(16)14-6-9-21-10-7-14/h3-4,11,13-14,16H,2,5-10,12H2,1H3,(H,18,20)/t13-,16-/m0/s1
InChIKeyXBXYIVDLEILZAI-BBRMVZONSA-N
XLogP2.44
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-1-thiophen-2-ylpropan-2-yl]cyclobutanecarboxamide
CID 51897806
(3S)-3-N-[(2S)-1-thiophen-2-ylpropan-2-yl]piperidine-1,3-dicarboxamide
CID 32597617
cis-(1S,2R)-2-(1-thiophen-2-ylpropan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114091889
3-hydroxy-N-(1-thiophen-2-ylpropan-2-yl)piperidine-1-carboxamide
CID 110896289
(2S)-N-(1-thiophen-2-ylpropan-2-yl)pyrrolidine-2-carboxamide
CID 61178552
2-amino-N-(1-thiophen-2-ylpropan-2-yl)cyclohexane-1-carboxamide
CID 64824515
2-[1-(1-thiophen-2-ylpropan-2-ylcarbamoyl)piperidin-3-yl]acetic acid
CID 63292234
N-(oxan-4-yl)-2-(1-thiophen-2-ylpropan-2-ylamino)acetamide
CID 63291806
(1S,6R)-6-(1-thiophen-2-ylpropan-2-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 104962113
(2S,5R)-5-(aminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)oxolane-2-carboxamide
CID 120787356
4-ethyl-N-(1-thiophen-2-ylpropan-2-yl)piperidine-2-carboxamide
CID 114428230
2-(propan-2-ylamino)-N-(1-thiophen-2-ylpropan-2-yl)acetamide
CID 60842186

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(oxan-4-yl)-N-[(2S)-1-thiophen-2-ylpropan-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(oxan-4-yl)-N-[(2S)-1-thiophen-2-ylpropan-2-yl]pyrrolidine-2-carboxamide (CID 124591408) is (2S)-1-(oxan-4-yl)-N-[(2S)-1-thiophen-2-ylpropan-2-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(oxan-4-yl)-N-[(2S)-1-thiophen-2-ylpropan-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(oxan-4-yl)-N-[(2S)-1-thiophen-2-ylpropan-2-yl]pyrrolidine-2-carboxamide is C[C@@H](Cc1cccs1)NC(=O)[C@@H]1CCCN1C1CCOCC1.
What is the InChIKey of (2S)-1-(oxan-4-yl)-N-[(2S)-1-thiophen-2-ylpropan-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is XBXYIVDLEILZAI-BBRMVZONSA-N. The full InChI is InChI=1S/C17H26N2O2S/c1-13(12-15-4-3-11-22-15)18-17(20)16-5-2-8-19(16)14-6-9-21-10-7-14/h3-4,11,13-14,16H,2,5-10,12H2,1H3,(H,18,20)/t13-,16-/m0/s1.
What are the key properties of (2S)-1-(oxan-4-yl)-N-[(2S)-1-thiophen-2-ylpropan-2-yl]pyrrolidine-2-carboxamide?
(2S)-1-(oxan-4-yl)-N-[(2S)-1-thiophen-2-ylpropan-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 322.47 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(oxan-4-yl)-N-[(2S)-1-thiophen-2-ylpropan-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 124591408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).