N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-thiophen-3-ylpropanamide

C17H28N2O2S — CID 29299905

IUPACN-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-thiophen-3-ylpropanamide
SMILESC[C@@H]1CN(C(C)(C)CNC(=O)CCc2ccsc2)C[C@H](C)O1
InChIInChI=1S/C17H28N2O2S/c1-13-9-19(10-14(2)21-13)17(3,4)12-18-16(20)6-5-15-7-8-22-11-15/h7-8,11,13-14H,5-6,9-10,12H2,1-4H3,(H,18,20)/t13-,14+
InChIKeyKFIIWRDJTISJLU-OKILXGFUSA-N
MW324.49 g/mol
LogP2.68
Rot. Bonds6

About N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-thiophen-3-ylpropanamide

N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-thiophen-3-ylpropanamide (PubChem CID 29299905) has the molecular formula C17H28N2O2S and a molecular weight of 324.49 g/mol. Its IUPAC name is N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-thiophen-3-ylpropanamide.

Molecular Properties

Compound NameN-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-thiophen-3-ylpropanamide
PubChem CID29299905
Molecular FormulaC17H28N2O2S
Molecular Weight324.49 g/mol
Exact Mass324.19
IUPAC NameN-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-thiophen-3-ylpropanamide
SMILESC[C@@H]1CN(C(C)(C)CNC(=O)CCc2ccsc2)C[C@H](C)O1
InChIInChI=1S/C17H28N2O2S/c1-13-9-19(10-14(2)21-13)17(3,4)12-18-16(20)6-5-15-7-8-22-11-15/h7-8,11,13-14H,5-6,9-10,12H2,1-4H3,(H,18,20)/t13-,14+
InChIKeyKFIIWRDJTISJLU-OKILXGFUSA-N
XLogP2.68
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.49
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-thiophen-2-ylpropanamide
CID 32716435
N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3-thiophen-3-ylpropanamide
CID 47042309
N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-(furan-2-yl)propanamide
CID 29303064
N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-(furan-2-yl)propanamide
CID 29303063
N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2-phenoxyacetamide
CID 29298053
3-(1H-benzimidazol-2-yl)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]propanamide
CID 29300413
N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-3-thiophen-3-ylpropanamide
CID 51958852
2-amino-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-phenylpropanamide
CID 120595010
1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-[2-(4-fluorophenyl)ethyl]urea
CID 51654985
N-[2-(tert-butylamino)-2-oxoethyl]-3-thiophen-3-ylpropanamide
CID 18118510
N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2-(2-methoxyphenoxy)acetamide
CID 51931304
2-amino-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-methylpropanamide
CID 119839528

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-thiophen-3-ylpropanamide?
The IUPAC name of N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-thiophen-3-ylpropanamide (CID 29299905) is N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-thiophen-3-ylpropanamide.
What is the SMILES notation for N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-thiophen-3-ylpropanamide?
The canonical SMILES for N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-thiophen-3-ylpropanamide is C[C@@H]1CN(C(C)(C)CNC(=O)CCc2ccsc2)C[C@H](C)O1.
What is the InChIKey of N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-thiophen-3-ylpropanamide?
The InChIKey is KFIIWRDJTISJLU-OKILXGFUSA-N. The full InChI is InChI=1S/C17H28N2O2S/c1-13-9-19(10-14(2)21-13)17(3,4)12-18-16(20)6-5-15-7-8-22-11-15/h7-8,11,13-14H,5-6,9-10,12H2,1-4H3,(H,18,20)/t13-,14+.
What are the key properties of N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-thiophen-3-ylpropanamide?
N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-thiophen-3-ylpropanamide has a molecular weight of 324.49 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-thiophen-3-ylpropanamide is sourced from PubChem (CID 29299905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).