N-(6-morpholin-4-yl-6-oxohexyl)-2-sulfanylacetamide

C12H22N2O3S — CID 58608874

IUPACN-(6-morpholin-4-yl-6-oxohexyl)-2-sulfanylacetamide
SMILESO=C(CS)NCCCCCC(=O)N1CCOCC1
InChIInChI=1S/C12H22N2O3S/c15-11(10-18)13-5-3-1-2-4-12(16)14-6-8-17-9-7-14/h18H,1-10H2,(H,13,15)
InChIKeyVMPTYCIMHTVLPX-UHFFFAOYSA-N
MW274.39 g/mol
LogP0.45
Rot. Bonds7

About N-(6-morpholin-4-yl-6-oxohexyl)-2-sulfanylacetamide

N-(6-morpholin-4-yl-6-oxohexyl)-2-sulfanylacetamide (PubChem CID 58608874) has the molecular formula C12H22N2O3S and a molecular weight of 274.39 g/mol. Its IUPAC name is N-(6-morpholin-4-yl-6-oxohexyl)-2-sulfanylacetamide.

Molecular Properties

Compound NameN-(6-morpholin-4-yl-6-oxohexyl)-2-sulfanylacetamide
PubChem CID58608874
Molecular FormulaC12H22N2O3S
Molecular Weight274.39 g/mol
Exact Mass274.14
IUPAC NameN-(6-morpholin-4-yl-6-oxohexyl)-2-sulfanylacetamide
SMILESO=C(CS)NCCCCCC(=O)N1CCOCC1
InChIInChI=1S/C12H22N2O3S/c15-11(10-18)13-5-3-1-2-4-12(16)14-6-8-17-9-7-14/h18H,1-10H2,(H,13,15)
InChIKeyVMPTYCIMHTVLPX-UHFFFAOYSA-N
XLogP0.45
TPSA58.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(6-morpholin-4-yl-6-oxohexyl)-2-sulfanylacetamide?
The IUPAC name of N-(6-morpholin-4-yl-6-oxohexyl)-2-sulfanylacetamide (CID 58608874) is N-(6-morpholin-4-yl-6-oxohexyl)-2-sulfanylacetamide.
What is the SMILES notation for N-(6-morpholin-4-yl-6-oxohexyl)-2-sulfanylacetamide?
The canonical SMILES for N-(6-morpholin-4-yl-6-oxohexyl)-2-sulfanylacetamide is O=C(CS)NCCCCCC(=O)N1CCOCC1.
What is the InChIKey of N-(6-morpholin-4-yl-6-oxohexyl)-2-sulfanylacetamide?
The InChIKey is VMPTYCIMHTVLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3S/c15-11(10-18)13-5-3-1-2-4-12(16)14-6-8-17-9-7-14/h18H,1-10H2,(H,13,15).
What are the key properties of N-(6-morpholin-4-yl-6-oxohexyl)-2-sulfanylacetamide?
N-(6-morpholin-4-yl-6-oxohexyl)-2-sulfanylacetamide has a molecular weight of 274.39 g/mol, XLogP of 0.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-morpholin-4-yl-6-oxohexyl)-2-sulfanylacetamide is sourced from PubChem (CID 58608874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).