N-[(2S)-2-methylsulfanylpropyl]-2-[(2S)-morpholin-2-yl]acetamide

C10H20N2O2S — CID 99596363

IUPACN-[(2S)-2-methylsulfanylpropyl]-2-[(2S)-morpholin-2-yl]acetamide
SMILESCS[C@@H](C)CNC(=O)C[C@H]1CNCCO1
InChIInChI=1S/C10H20N2O2S/c1-8(15-2)6-12-10(13)5-9-7-11-3-4-14-9/h8-9,11H,3-7H2,1-2H3,(H,12,13)/t8-,9-/m0/s1
InChIKeyQJVRAKZTRUPLQK-IUCAKERBSA-N
MW232.35 g/mol
LogP0.23
Rot. Bonds5

About N-[(2S)-2-methylsulfanylpropyl]-2-[(2S)-morpholin-2-yl]acetamide

N-[(2S)-2-methylsulfanylpropyl]-2-[(2S)-morpholin-2-yl]acetamide (PubChem CID 99596363) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is N-[(2S)-2-methylsulfanylpropyl]-2-[(2S)-morpholin-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-2-methylsulfanylpropyl]-2-[(2S)-morpholin-2-yl]acetamide
PubChem CID99596363
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC NameN-[(2S)-2-methylsulfanylpropyl]-2-[(2S)-morpholin-2-yl]acetamide
SMILESCS[C@@H](C)CNC(=O)C[C@H]1CNCCO1
InChIInChI=1S/C10H20N2O2S/c1-8(15-2)6-12-10(13)5-9-7-11-3-4-14-9/h8-9,11H,3-7H2,1-2H3,(H,12,13)/t8-,9-/m0/s1
InChIKeyQJVRAKZTRUPLQK-IUCAKERBSA-N
XLogP0.23
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-methylsulfanylpropyl]-2-[(2S)-morpholin-2-yl]acetamide?
The IUPAC name of N-[(2S)-2-methylsulfanylpropyl]-2-[(2S)-morpholin-2-yl]acetamide (CID 99596363) is N-[(2S)-2-methylsulfanylpropyl]-2-[(2S)-morpholin-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-2-methylsulfanylpropyl]-2-[(2S)-morpholin-2-yl]acetamide?
The canonical SMILES for N-[(2S)-2-methylsulfanylpropyl]-2-[(2S)-morpholin-2-yl]acetamide is CS[C@@H](C)CNC(=O)C[C@H]1CNCCO1.
What is the InChIKey of N-[(2S)-2-methylsulfanylpropyl]-2-[(2S)-morpholin-2-yl]acetamide?
The InChIKey is QJVRAKZTRUPLQK-IUCAKERBSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-8(15-2)6-12-10(13)5-9-7-11-3-4-14-9/h8-9,11H,3-7H2,1-2H3,(H,12,13)/t8-,9-/m0/s1.
What are the key properties of N-[(2S)-2-methylsulfanylpropyl]-2-[(2S)-morpholin-2-yl]acetamide?
N-[(2S)-2-methylsulfanylpropyl]-2-[(2S)-morpholin-2-yl]acetamide has a molecular weight of 232.35 g/mol, XLogP of 0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-methylsulfanylpropyl]-2-[(2S)-morpholin-2-yl]acetamide is sourced from PubChem (CID 99596363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).