2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide

C15H25N3O2S — CID 95347428

IUPAC2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
SMILESCN(C)C[C@H]1CN(CC(=O)N(C)Cc2ccsc2)CCO1
InChIInChI=1S/C15H25N3O2S/c1-16(2)9-14-10-18(5-6-20-14)11-15(19)17(3)8-13-4-7-21-12-13/h4,7,12,14H,5-6,8-11H2,1-3H3/t14-/m0/s1
InChIKeyPYDBPZGNEGOHLO-AWEZNQCLSA-N
MW311.45 g/mol
LogP0.97
Rot. Bonds6

About 2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide

2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide (PubChem CID 95347428) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
PubChem CID95347428
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
SMILESCN(C)C[C@H]1CN(CC(=O)N(C)Cc2ccsc2)CCO1
InChIInChI=1S/C15H25N3O2S/c1-16(2)9-14-10-18(5-6-20-14)11-15(19)17(3)8-13-4-7-21-12-13/h4,7,12,14H,5-6,8-11H2,1-3H3/t14-/m0/s1
InChIKeyPYDBPZGNEGOHLO-AWEZNQCLSA-N
XLogP0.97
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
The IUPAC name of 2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide (CID 95347428) is 2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
The canonical SMILES for 2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide is CN(C)C[C@H]1CN(CC(=O)N(C)Cc2ccsc2)CCO1.
What is the InChIKey of 2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
The InChIKey is PYDBPZGNEGOHLO-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-16(2)9-14-10-18(5-6-20-14)11-15(19)17(3)8-13-4-7-21-12-13/h4,7,12,14H,5-6,8-11H2,1-3H3/t14-/m0/s1.
What are the key properties of 2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide has a molecular weight of 311.45 g/mol, XLogP of 0.97, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide is sourced from PubChem (CID 95347428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).