N-methyl-2-[[(2S)-4-methylmorpholin-2-yl]methylamino]-N-(thiophen-2-ylmethyl)acetamide

C14H23N3O2S — CID 95758042

IUPACN-methyl-2-[[(2S)-4-methylmorpholin-2-yl]methylamino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCN1CCO[C@@H](CNCC(=O)N(C)Cc2cccs2)C1
InChIInChI=1S/C14H23N3O2S/c1-16-5-6-19-12(10-16)8-15-9-14(18)17(2)11-13-4-3-7-20-13/h3-4,7,12,15H,5-6,8-11H2,1-2H3/t12-/m0/s1
InChIKeyZUBBEQCQHVGKMK-LBPRGKRZSA-N
MW297.42 g/mol
LogP0.63
Rot. Bonds6

About N-methyl-2-[[(2S)-4-methylmorpholin-2-yl]methylamino]-N-(thiophen-2-ylmethyl)acetamide

N-methyl-2-[[(2S)-4-methylmorpholin-2-yl]methylamino]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 95758042) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-methyl-2-[[(2S)-4-methylmorpholin-2-yl]methylamino]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-[[(2S)-4-methylmorpholin-2-yl]methylamino]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID95758042
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC NameN-methyl-2-[[(2S)-4-methylmorpholin-2-yl]methylamino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCN1CCO[C@@H](CNCC(=O)N(C)Cc2cccs2)C1
InChIInChI=1S/C14H23N3O2S/c1-16-5-6-19-12(10-16)8-15-9-14(18)17(2)11-13-4-3-7-20-13/h3-4,7,12,15H,5-6,8-11H2,1-2H3/t12-/m0/s1
InChIKeyZUBBEQCQHVGKMK-LBPRGKRZSA-N
XLogP0.63
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[(2S)-4-methylmorpholin-2-yl]methylamino]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of N-methyl-2-[[(2S)-4-methylmorpholin-2-yl]methylamino]-N-(thiophen-2-ylmethyl)acetamide (CID 95758042) is N-methyl-2-[[(2S)-4-methylmorpholin-2-yl]methylamino]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for N-methyl-2-[[(2S)-4-methylmorpholin-2-yl]methylamino]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for N-methyl-2-[[(2S)-4-methylmorpholin-2-yl]methylamino]-N-(thiophen-2-ylmethyl)acetamide is CN1CCO[C@@H](CNCC(=O)N(C)Cc2cccs2)C1.
What is the InChIKey of N-methyl-2-[[(2S)-4-methylmorpholin-2-yl]methylamino]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is ZUBBEQCQHVGKMK-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-16-5-6-19-12(10-16)8-15-9-14(18)17(2)11-13-4-3-7-20-13/h3-4,7,12,15H,5-6,8-11H2,1-2H3/t12-/m0/s1.
What are the key properties of N-methyl-2-[[(2S)-4-methylmorpholin-2-yl]methylamino]-N-(thiophen-2-ylmethyl)acetamide?
N-methyl-2-[[(2S)-4-methylmorpholin-2-yl]methylamino]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 297.42 g/mol, XLogP of 0.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[(2S)-4-methylmorpholin-2-yl]methylamino]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 95758042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).