N-[(2R)-1-morpholin-4-yl-1-oxo-3-sulfanylpropan-2-yl]acetamide

C9H16N2O3S — CID 24952536

IUPACN-[(2R)-1-morpholin-4-yl-1-oxo-3-sulfanylpropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](CS)C(=O)N1CCOCC1
InChIInChI=1S/C9H16N2O3S/c1-7(12)10-8(6-15)9(13)11-2-4-14-5-3-11/h8,15H,2-6H2,1H3,(H,10,12)/t8-/m0/s1
InChIKeyKAFUICSZPCBVNC-QMMMGPOBSA-N
MW232.30 g/mol
LogP-0.72
Rot. Bonds3

About N-[(2R)-1-morpholin-4-yl-1-oxo-3-sulfanylpropan-2-yl]acetamide

N-[(2R)-1-morpholin-4-yl-1-oxo-3-sulfanylpropan-2-yl]acetamide (PubChem CID 24952536) has the molecular formula C9H16N2O3S and a molecular weight of 232.30 g/mol. Its IUPAC name is N-[(2R)-1-morpholin-4-yl-1-oxo-3-sulfanylpropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2R)-1-morpholin-4-yl-1-oxo-3-sulfanylpropan-2-yl]acetamide
PubChem CID24952536
Molecular FormulaC9H16N2O3S
Molecular Weight232.30 g/mol
Exact Mass232.09
IUPAC NameN-[(2R)-1-morpholin-4-yl-1-oxo-3-sulfanylpropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](CS)C(=O)N1CCOCC1
InChIInChI=1S/C9H16N2O3S/c1-7(12)10-8(6-15)9(13)11-2-4-14-5-3-11/h8,15H,2-6H2,1H3,(H,10,12)/t8-/m0/s1
InChIKeyKAFUICSZPCBVNC-QMMMGPOBSA-N
XLogP-0.72
TPSA58.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-morpholin-4-yl-1-oxo-3-sulfanylpropan-2-yl]acetamide?
The IUPAC name of N-[(2R)-1-morpholin-4-yl-1-oxo-3-sulfanylpropan-2-yl]acetamide (CID 24952536) is N-[(2R)-1-morpholin-4-yl-1-oxo-3-sulfanylpropan-2-yl]acetamide.
What is the SMILES notation for N-[(2R)-1-morpholin-4-yl-1-oxo-3-sulfanylpropan-2-yl]acetamide?
The canonical SMILES for N-[(2R)-1-morpholin-4-yl-1-oxo-3-sulfanylpropan-2-yl]acetamide is CC(=O)N[C@@H](CS)C(=O)N1CCOCC1.
What is the InChIKey of N-[(2R)-1-morpholin-4-yl-1-oxo-3-sulfanylpropan-2-yl]acetamide?
The InChIKey is KAFUICSZPCBVNC-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H16N2O3S/c1-7(12)10-8(6-15)9(13)11-2-4-14-5-3-11/h8,15H,2-6H2,1H3,(H,10,12)/t8-/m0/s1.
What are the key properties of N-[(2R)-1-morpholin-4-yl-1-oxo-3-sulfanylpropan-2-yl]acetamide?
N-[(2R)-1-morpholin-4-yl-1-oxo-3-sulfanylpropan-2-yl]acetamide has a molecular weight of 232.30 g/mol, XLogP of -0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-morpholin-4-yl-1-oxo-3-sulfanylpropan-2-yl]acetamide is sourced from PubChem (CID 24952536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).